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Sugi Predict / Compounds / SCHEMBL4125095

SCHEMBL4125095

SCHEMBL4125095

O=C(O)c1ccc2cc(NC(=O)c3ccc4c(c3)nc(-c3ccc5nc(-c6ccccc6)cnc5c3)n4C3CCCCC3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 6/20 0.43
▸ CYP1A2 P05177 5/20 0.43
▸ CYP2C9 P11712 5/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ BMPR2 Q13873 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ BCAT2 O15382 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MCHR1 Q99705 2/20 0.39
▸ HTR2C P28335 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
SCHEMBL4129971 0.90 L3MBTL1 (0.48) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4131531 0.90 L3MBTL1 (0.56) L3MBTL1HPGDBCAT2TP53
SCHEMBL4116973 0.86 L3MBTL1 (0.56) L3MBTL1HPGD
SCHEMBL13904982 0.84 KDM4E (0.42) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL4125936 0.84 L3MBTL1 (0.48) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL13904979 0.84 CYP3A4 (0.42) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4124665 0.84 BMPR2 (0.44) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL13904896 0.83 BCAT2 (0.42) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4117424 0.83 BCAT2 (0.42) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4130107 0.83 L3MBTL1 (0.44) L3MBTL1CYP3A4CYP1A2CYP2C9CYP2C19

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 L3MBTL1 1221/4885CYP3A4 52/4885CYP1A2 238/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885CYP3A4 52/4885CYP1A2 238/4885

“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.