SCHEMBL5455700

SCHEMBL5455700

NC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
MAPT P10636 6/20 1.00
NPC1 O15118 6/20 1.00
ALDH1A1 P00352 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
FLT3 P36888 9/20 0.73
RORC P51449 1/20 0.73
HTT P42858 1/20 0.72
POLB P06746 3/20 0.67
HPGD P15428 2/20 0.67
KDM4E B2RXH2 2/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CFTR P13569 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL3915492 0.86 MAPT (0.96) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL5453576 0.85 FLT3 (1.00) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL23850639 0.84 RORC (1.00) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL15281386 0.81 ALDH1A1 (1.00) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL5457779 0.81 RAB9A (1.00) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL5457818 0.80 FLT3 (1.00) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL15281367 0.80 ALDH1A1 (0.98) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL5453533 0.79 FLT3 (0.67) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL5458447 0.76 ALDH1A1 (0.68) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL12768285 0.76 RAB9A (0.61) RAB9AMAPTNPC1ALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF HUTCHINSON FRED CANCER RES (US) 2017-10-26 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 US disclosed
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-07 US disclosed
WO-2013142628-A2 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-09-26 WO disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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 (3 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 RAB9A 948/4885MAPT 21/4885NPC1 2627/4885
US-20170305899-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B RAB9A 2030/4885MAPT 3731/4885NPC1 2212/4885
US-20150126519-A1 ANTIBIOTIC COMPOUNDS AND COMPOSITIONS, AND METHODS FOR IDENTIFICATION THEREOF BLM, DNA2, DCLRE1B RAB9A 2030/4885MAPT 3731/4885NPC1 2212/4885

“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.