SCHEMBL4240886

SCHEMBL4240886

O=C(O)c1cn(-c2ccnc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
KDM4C Q9H3R0 3/20 0.42
RORC P51449 3/20 0.42
DHODH Q02127 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
METTL3 Q86U44 1/20 0.37
METTL14 Q9HCE5 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL4241084 0.91 KDM4E (0.43) KDM4ELMNAKDM4CRORCDHODH
SCHEMBL4238424 0.90 RORC (0.39) KDM4CRORCMEN1KMT2ARAB9A
SCHEMBL4235849 0.87 KMT2A (0.47) KDM4ELMNAMEN1KMT2ACYP2C9
SCHEMBL4244849 0.86 RORC (0.43) KDM4EKDM4CRORCMEN1KMT2A
SCHEMBL4239906 0.86 KCNH2 (0.41) KDM4EKDM4CRORCKMT2AALDH1A1
SCHEMBL4236274 0.86 PTGDR2 (0.48) KDM4EKDM4CRORCMEN1KMT2A
SCHEMBL4245169 0.83 MALT1 (0.37) RORCRAB9ACYP3A4PDGFRB
Hydrochloric Acid SCHEMBL4240291 0.82 MALT1 (0.36) RORCRAB9ACYP3A4
SCHEMBL4236166 0.81 RORC (0.39) KDM4CRORCMEN1KMT2ARAB9A
SCHEMBL4242991 0.79 LMNA (0.53) KDM4ELMNAKDM4CMEN1KMT2A

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 KDM4E 1286/4885LMNA 647/4885KDM4C 943/4885

“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.