SCHEMBL4236166

SCHEMBL4236166

O=C(Cl)c1cn(-c2ccnc3ccccc23)c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
MAPK8 P45983 1/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MALT1 Q9UDY8 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B2 P19099 2/20 0.36
CNR2 P34972 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
ATM Q13315 1/20 0.35
GRM4 Q14833 2/20 0.35
CAPN1 P07384 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
NCF1 P14598 1/20 0.34
AR P10275 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4238424 0.91 RORC (0.39) RORCCYP2D6RAB9ASMN1; SMN2MALT1
SCHEMBL4241084 0.90 KDM4E (0.43) RORCCYP2D6RAB9ASMN1; SMN2KDM4C
SCHEMBL4242738 0.86 KMT2A (0.47) SMN1; SMN2MALT1NPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4242731 0.86 ADRB2 (0.39) RORCRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4235835 0.84 LMNA (0.44) RAB9ASMN1; SMN2MAPK1NPSR1KDM4C
SCHEMBL4242997 0.82 MALT1 (0.37) RORCMAPK8CYP2D6RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4236327 0.81 MALT1 (0.36) RORCMAPK8CYP2D6RAB9ASMN1; SMN2
SCHEMBL4240886 0.81 KDM4E (0.43) RORCRAB9AKDM4CMEN1KMT2A
SCHEMBL4244244 0.80 PTGDR2 (0.45) RORCSMN1; SMN2MALT1MEN1KMT2A
Hydrochloric Acid SCHEMBL4239887 0.80 KCNH2 (0.40) SMN1; SMN2MAPK1MEN1KMT2A

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 464/4885MAPK8 3999/4885CYP2D6 57/4885

“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.