SCHEMBL5014483

SCHEMBL5014483

NOCc1cccc(-c2cccc(N)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
GLA P06280 1/20 0.43
METAP2 P50579 1/20 0.41
KARS1 Q15046 1/20 0.41
PLK1 P53350 1/20 0.41
MAOA P21397 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL14075059 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5016048 0.78 ASIC3 (0.44) KDM4EMAPTLMNAHPGDNPC1
SCHEMBL5014342 0.76 CYP2A6 (0.53) MEN1ALDH1A1NPC1METAP2KARS1
SCHEMBL4344143 0.76 ASIC3 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL9721955 0.76 MAOB (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5014400 0.75 ABL1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5012773 0.75 MAP4K4 (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5013990 0.73 HIF1A (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL16588053 0.73 KCNH2 (0.36) AGXT
SCHEMBL5013989 0.71 KCNH2 (0.39) KDM4ELMNANPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 MEN1 3212/4885KMT2A 4544/4885ALDH1A1 988/4885

“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.