Sugi Predict

Sugi Predict / Compounds / SCHEMBL91656

SCHEMBL91656

SCHEMBL91656

CCc1noc(-c2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.70
▸ NPC1 O15118 6/20 0.70
▸ RAB9A P51151 6/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ MAPT P10636 3/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ PKM P14618 1/20 0.70
▸ NOTUM Q6P988 2/20 0.68
▸ NR1H4 Q96RI1 3/20 0.57
▸ HTT P42858 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.49
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ TP53 P04637 4/20 0.47

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
SCHEMBL10115511 0.85 NPC1 (0.93) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4668238 0.83 RAB9A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10053916 0.83 MAPT (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL15134753 0.83 RAB9A (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL21776935 0.82 NOTUM (0.70) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL23360754 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL19627022 0.81 NOTUM (0.70) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL9197723 0.81 NPC1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL23986463 0.81 RAB9A (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL14873224 0.81 S1PR1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 — — EP disclosed
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 — — EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 — — US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 — — US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
EP-2257170-B1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 — — US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
EP-1553949-B1 PYRIMIDINE-2,4-DIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-18 — — EP disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US disclosed
US-7160893-B2 Pyrimidine-2,4-dione derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-09 — — US 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 (6 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 SMN1; SMN2 4275/4885NPC1 387/4885RAB9A 2564/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C SMN1; SMN2 2604/4885NPC1 3670/4885RAB9A 1487/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 SMN1; SMN2 4275/4885NPC1 387/4885RAB9A 2564/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 SMN1; SMN2 4743/4885NPC1 3518/4885RAB9A 2280/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 SMN1; SMN2 2894/4885NPC1 735/4885RAB9A 730/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH SMN1; SMN2 398/4885NPC1 79/4885RAB9A 1590/4885

“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.