SCHEMBL4131131

SCHEMBL4131131

O=C(c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4)ccc3c1)n2C1CCCCC1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.49
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PTGER4 P35408 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACP1 P24666 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
KMT2A Q03164 1/20 0.41
FASN P49327 1/20 0.41

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
SCHEMBL4125294 0.87 L3MBTL1 (0.58) L3MBTL1PTGER4HSD17B10
SCHEMBL4118996 0.87 L3MBTL1 (0.50) HPGDL3MBTL1
SCHEMBL4122761 0.86 L3MBTL1 (0.57) L3MBTL1PTGER4HSD17B10
SCHEMBL4120322 0.86 L3MBTL1 (0.51) HPGDL3MBTL1PTGER4ALDH1A1LMNA
SCHEMBL13920643 0.85 OGFRL1 (0.45) HPGDL3MBTL1PTGER4
SCHEMBL4124761 0.85 OGFRL1 (0.45) HPGDL3MBTL1PTGER4
SCHEMBL14382704 0.81 L3MBTL1 (0.57) HPGDL3MBTL1ALDH1A1USP2HSD17B10
SCHEMBL4124809 0.81 L3MBTL1 (0.52) L3MBTL1PTGER4HSD17B10
SCHEMBL4120008 0.81 L3MBTL1 (0.59) L3MBTL1PTGER4HSD17B10
SCHEMBL13904640 0.81 L3MBTL1 (0.48) HPGDL3MBTL1

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 HPGD 3746/4885ACACB 681/4885ACACA 1583/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HPGD 3746/4885ACACB 681/4885ACACA 1583/4885

“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.