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SCHEMBL4132091

SCHEMBL4132091

NCCCCC(NC(=O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)ccc3c1)n2C1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR2 Q13873 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BCAT2 O15382 1/20 0.39
▸ OPRM1 P35372 3/20 0.38
▸ OPRD1 P41143 3/20 0.38
▸ OPRK1 P41145 3/20 0.38
▸ OGFRL1 Q5TC84 3/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ ERAP2 Q6P179 2/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL13920641 1.00 BMPR2 (0.41) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL4125496 0.90 CYP3A4 (0.43) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL13920651 0.90 CYP3A4 (0.43) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL13920639 0.90 OGFRL1 (0.47) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL4125847 0.90 OGFRL1 (0.47) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL4125294 0.82 L3MBTL1 (0.58) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL4122761 0.81 L3MBTL1 (0.57) L3MBTL1BCAT2HDAC1HDAC8HDAC6
SCHEMBL6429745 0.81 CYP3A4 (0.43) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL4117525 0.81 CYP3A4 (0.41) BMPR2CYP3A4L3MBTL1BCAT2OPRM1
SCHEMBL13904963 0.81 CYP3A4 (0.41) BMPR2CYP3A4L3MBTL1BCAT2OPRM1

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
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-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 BMPR2 4096/4885CYP3A4 52/4885L3MBTL1 1221/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 BMPR2 4096/4885CYP3A4 52/4885L3MBTL1 1221/4885

“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.