SCHEMBL4244849

SCHEMBL4244849

O=C(O)c1cn(-c2ccnc3ccccc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NR4A2 P43354 1/20 0.42
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
AR P10275 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
Hydrochloric Acid SCHEMBL4242731 0.86 ADRB2 (0.39) RORCALDH1A1RAB9AMEN1NPC1
SCHEMBL4239906 0.86 KCNH2 (0.41) RORCALDH1A1GAAMAPTKMT2A
SCHEMBL4240886 0.86 KDM4E (0.43) RORCALDH1A1RAB9AMEN1NPC1
SCHEMBL4236274 0.86 PTGDR2 (0.48) RORCALDH1A1MEN1MAPTHPGD
SCHEMBL4241084 0.86 KDM4E (0.43) RORCALDH1A1RAB9AMEN1NPC1
SCHEMBL4060642 0.85 RORC (0.45) RORCALDH1A1RAB9AMEN1NPC1
SCHEMBL4239994 0.84 NR4A2 (0.60) ALDH1A1MEN1POLBGAAMAPT
SCHEMBL4242991 0.84 LMNA (0.53) ALDH1A1RAB9AMEN1NPC1CYP1A2
SCHEMBL4239572 0.84 PDGFRB (0.46) RORCMAPTKDM4EADRB2NCF1
SCHEMBL4240288 0.84 LMNA (0.59) ALDH1A1RAB9AMEN1NPC1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 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 (1 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-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C RORC 464/4885ALDH1A1 963/4885RAB9A 2486/4885

“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.