SCHEMBL2360700

SCHEMBL2360700

O=c1cccc2nc3ccccc3ncc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
NPC1 O15118 10/20 0.44
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK10 P53779 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALOX15 P16050 2/20 0.42
PDE10A Q9Y233 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3412178 0.76 RAB9A (0.58) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL2076567 0.73 HSP90AA1 (0.57) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL29966674 0.73 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL3076524 0.73 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL29614829 0.73 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL29942654 0.73 NPC1 (0.63) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL29493733 0.71 HSP90AA1 (0.45) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL4743371 0.71 HSP90AA1 (0.45) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL57728 0.71 PDE10A (0.54) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL6291686 0.68 NPC1 (0.53) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-2793881-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME The Regents of the University of Colorado (US) 2014-10-29 EP disclosed
WO-2013096820-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-06-27 WO disclosed
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS EDUSA PHARMACEUTICALS, INC. (US) 2011-12-01 US disclosed
EP-1901775-B1 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2011-08-24 EP disclosed
US-20080275080-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit channel modulators with smooth muscle modulators DYNOGEN PHARMACUETICALS, INC. (US) 2008-11-06 US disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
EP-1937272-A2 BENZODIAZEPINES AS HCV INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2008-07-02 EP disclosed
US-20080085916-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING ALPHA2DELTA SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2008-04-10 US disclosed
EP-1901775-A2 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION Jerini AG (DE) 2008-03-26 EP disclosed
WO-2004084881-A1 METHODS FOR TREATING FUNCTIONAL BOWEL DISORDERS USING α2δ SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
WO-2004084879-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING SMOOTH MUSCLE MODULATORS AND ALPHA-2-DELTA SUBUNIT CALCIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
WO-2004084880-A1 METHODS FOR TREATING PAIN USING SMOOTH MUSCLE MODULATORS AND α2δ SUBUNIT CALCIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-10-07 WO disclosed
US-20040198822-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators DYNOGEN PHARMACUETICALS, INC. (US) 2004-10-07 US disclosed
WO-2004066987-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed
EP-0213293-B1 11-Substituted 5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1992-01-02 EP disclosed
EP-0126366-B1 QUATERNARY SALTS OF DIBENZO(1,4)DIAZEPINONE, PYRIDO-(1,4)BENZODIAZEPINONE, PYRIDO(1,5)BENZODIAZEPINONE DERIVATIVES AND PHARMACOLOGICAL ACTIVITY THEREOF DOMPE' FARMACEUTICI S.p.A. (IT) 1988-12-14 EP disclosed
US-4594190-A Quaternary salts of dibenzo[1,4]diazepinones, pyrido-[1,4]benzodiazepinones, pyrido[1,5]benzodiazepinones with antiulcer, antisecretory, spasmolytic and antimusarinic activities DOMPE' FARMACEUTICI S.P.A. (IT) 1986-06-10 US disclosed
EP-0126366-A2 Quaternary salts of dibenzo(1,4)diazepinone, pyrido-(1,4)benzodiazepinone, pyrido(1,5)benzodiazepinone derivatives and pharmacological activity thereof DOMPE' FARMACEUTICI S.p.A. (IT) 1984-11-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040198822-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit calcium channel modulators with smooth muscle modulators GABRB2, GABRD, GABRB3 HSP90AA1 3080/4885HSP90AB1 2640/4885NPC1 3788/4885
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R HSP90AA1 2349/4885HSP90AB1 1976/4885NPC1 4755/4885
US-20080085916-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING ALPHA2DELTA SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 HSP90AA1 2770/4885HSP90AB1 2091/4885NPC1 3505/4885
US-20080275080-A1 Methods for treating lower urinary tract disorders using alpha2delta subunit channel modulators with smooth muscle modulators GABRB2, GABRB3, GABRB1 HSP90AA1 2568/4885HSP90AB1 1916/4885NPC1 3644/4885
US-20110294881-A1 METHODS FOR TREATING LOWER URINARY TRACT DISORDERS USING alpha2delta SUBUNIT CALCIUM CHANNEL MODULATORS WITH SMOOTH MUSCLE MODULATORS GABRB2, GABRB3, GABRB1 HSP90AA1 2770/4885HSP90AB1 2091/4885NPC1 3505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.