SCHEMBL4116743

SCHEMBL4116743

Cc1nc(=O)c2cc(-c3nc4cc(C(=O)NS(C)(=O)=O)ccc4n3C3CCCCC3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
OGFRL1 Q5TC84 1/20 0.42
CYP3A4 P08684 3/20 0.40
TP53 P04637 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RPS6KB1 P23443 1/20 0.38
BCAT2 O15382 1/20 0.38
RAB9A P51151 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
SCHEMBL4134401 0.87 L3MBTL1 (0.59) PTGER4L3MBTL1
SCHEMBL4129831 0.80 PTGER4 (0.47) PTGER4L3MBTL1CYP3A4HDAC1HDAC8
SCHEMBL13905081 0.79 CYP3A4 (0.43) PTGER4L3MBTL1OGFRL1CYP3A4TP53
SCHEMBL4130537 0.79 L3MBTL1 (0.46) PTGER4L3MBTL1OGFRL1CYP3A4TP53
SCHEMBL13905096 0.79 L3MBTL1 (0.46) PTGER4L3MBTL1OGFRL1CYP3A4TP53
SCHEMBL4131504 0.79 L3MBTL1 (0.46) PTGER4L3MBTL1OGFRL1CYP3A4TP53
SCHEMBL4509094 0.79 L3MBTL1 (0.43) PTGER4L3MBTL1OGFRL1CYP3A4TP53
SCHEMBL4124667 0.78 L3MBTL1 (0.43) PTGER4L3MBTL1OGFRL1CYP3A4TP53
SCHEMBL13905113 0.78 HDAC6 (0.46) PTGER4HDAC1HDAC8HDAC6RAB9A
SCHEMBL4117074 0.77 PTGER4 (0.46) PTGER4L3MBTL1CYP3A4CYP1A2CYP2D6

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 4 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-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 PTGER4 4135/4885L3MBTL1 1221/4885OGFRL1 4655/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 PTGER4 4135/4885L3MBTL1 1221/4885OGFRL1 4655/4885

“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.