SCHEMBL9939817

SCHEMBL9939817

NCc1ccc(Cl)c(Nc2nc3ccc(N4CCCC4)cc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
KDM1A O60341 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP2K7 O14733 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
SYK P43405 1/20 0.38
FGFR1 P11362 4/20 0.37
FLT3 P36888 2/20 0.37
BRD4 O60885 1/20 0.36
NPBWR1 P48145 1/20 0.35

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
SCHEMBL9899450 0.92 MAP2K7 (0.41) KCNH2SMN1; SMN2MAP2K7PDE3BPDE3A
SCHEMBL9939815 0.81 KDM1A (0.41) KCNH2KDM1ASMN1; SMN2PDE3BPDE3A
SCHEMBL9939849 0.79 DRD2 (0.42) KCNH2KDM1AFLT3BRD4
SCHEMBL9899388 0.76 OPRL1 (0.33) KCNH2KDM1AOPRL1
SCHEMBL14119600 0.76 KDM1A (0.33) KDM1AMAP2K7OPRL1
SCHEMBL9939890 0.75 DRD2 (0.41) KCNH2KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL9939773 0.75 AKT2 (0.42) KCNH2SMN1; SMN2
SCHEMBL14119480 0.73 PDE3B (0.33) KCNH2KDM1ASMN1; SMN2PDE3BPDE3A
SCHEMBL9939974 0.73 PTGES (0.43)
SCHEMBL9940040 0.73 ENPP2 (0.36) KDM1ANPC1SMN1; SMN2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES KCNH2 3874/4885KDM1A 1469/4885NPC1 1565/4885

“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.