SCHEMBL4120836

SCHEMBL4120836

O=C(O)Cc1ccc(NC(=O)c2ccc3c(c2)nc(-c2ccc4nc(-c5ccccc5)ccc4c2)n3C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NR1H4 Q96RI1 5/20 0.44
RORC P51449 1/20 0.42
BMPR2 Q13873 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
BCAT2 O15382 1/20 0.40
EGFR P00533 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL4129971 0.88 L3MBTL1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4125216 0.87 L3MBTL1 (0.43) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4125936 0.86 L3MBTL1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4131184 0.86 L3MBTL1 (0.42) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4128616 0.85 L3MBTL1 (0.44) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4125294 0.84 L3MBTL1 (0.58) NR1H4L3MBTL1BCAT2
SCHEMBL4138274 0.83 L3MBTL1 (0.50) NR1H4BMPR2L3MBTL1
SCHEMBL4122761 0.83 L3MBTL1 (0.57) NR1H4L3MBTL1BCAT2
SCHEMBL4124247 0.83 CYP3A4 (0.42) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13905149 0.82 L3MBTL1 (0.45) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US 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 CYP3A4 52/4885CYP1A2 238/4885CYP2D6 341/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CYP3A4 52/4885CYP1A2 238/4885CYP2D6 341/4885

“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.