SCHEMBL4130596

SCHEMBL4130596

O=C(Nc1cccc2ccc(O)cc12)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)ccc3c1)n2C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BMPR2 Q13873 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCAT2 O15382 1/20 0.39
CYP3A4 P08684 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 3/20 0.39
EGFR P00533 2/20 0.39
MAPK10 P53779 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL13904977 0.91 EGFR (0.39) TRPV1HDAC1HDAC8HDAC6BMPR2
SCHEMBL4124247 0.90 CYP3A4 (0.42) HDAC1HDAC8HDAC6BMPR2L3MBTL1
SCHEMBL4125936 0.83 L3MBTL1 (0.48) HDAC1HDAC8HDAC6BMPR2L3MBTL1
SCHEMBL4125294 0.82 L3MBTL1 (0.58) HDAC1HDAC8HDAC6L3MBTL1BCAT2
SCHEMBL4125330 0.82 L3MBTL1 (0.53) HDAC1HDAC8HDAC6BMPR2L3MBTL1
SCHEMBL4129971 0.82 L3MBTL1 (0.48) HDAC1HDAC8HDAC6BMPR2L3MBTL1
SCHEMBL4122761 0.82 L3MBTL1 (0.57) HDAC1HDAC8HDAC6L3MBTL1BCAT2
SCHEMBL4131184 0.81 L3MBTL1 (0.42) HDAC1HDAC8HDAC6BMPR2L3MBTL1
SCHEMBL13905149 0.81 L3MBTL1 (0.45) HDAC1HDAC8HDAC6BMPR2L3MBTL1
SCHEMBL4125216 0.81 L3MBTL1 (0.43) HDAC1HDAC8HDAC6BMPR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 TRPV1 3446/4885HDAC1 358/4885HDAC8 693/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 TRPV1 3446/4885HDAC1 358/4885HDAC8 693/4885

“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.