SCHEMBL4242991

SCHEMBL4242991

COc1ccc2c(C(=O)O)cn(-c3ccnc4ccccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ATM Q13315 1/20 0.44
KDM4C Q9H3R0 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL4243422 0.91 LMNA (0.50) LMNAKDM4EALDH1A1HPGDNPC1
SCHEMBL4239873 0.90 KMT2A (0.47) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL4235835 0.90 LMNA (0.44) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL4240288 0.89 LMNA (0.59) LMNAKDM4EALDH1A1HPGDNPC1
SCHEMBL4236291 0.84 KDM4E (0.43) LMNAKDM4ENPC1RAB9ANPSR1
SCHEMBL4244849 0.84 RORC (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL4240482 0.83 KDM4E (0.42) LMNAKDM4ENPC1RAB9ANPSR1
SCHEMBL4241084 0.83 KDM4E (0.43) LMNAKDM4EALDH1A1HPGDNPC1
SCHEMBL4241514 0.82 NR4A2 (0.52) LMNAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4236274 0.81 PTGDR2 (0.48) KDM4EALDH1A1HPGDMAPTKDM4C

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 LMNA 647/4885KDM4E 1286/4885ALDH1A1 963/4885

“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.