SCHEMBL3299195

SCHEMBL3299195

Cc1cc(F)ccc1-n1nc(C)c(Br)c1NC1(C)C=CC=CC1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
NR3C2 P08235 1/20 0.33
HDAC9 Q9UKV0 1/20 0.31
ADORA1 P30542 1/20 0.31
DGAT1 O75907 1/20 0.31
OPRM1 P35372 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL1814784 0.93 OPRM1 (0.38) L3MBTL1OPRM1P2RX7
SCHEMBL3308257 0.91 L3MBTL1 (0.34) L3MBTL1OPRM1P2RX7
SCHEMBL3306666 0.85 OPRM1 (0.36) ADORA1OPRM1P2RX7
SCHEMBL1818958 0.84 SCN9A (0.37) L3MBTL1HDAC9
SCHEMBL1815542 0.82 HDAC9 (0.33) L3MBTL1HDAC9
SCHEMBL3299180 0.82 HTT (0.40) L3MBTL1NR3C2HDAC9DGAT1
SCHEMBL3261317 0.81 NTRK1 (0.38) P2RX7
SCHEMBL1814343 0.81 NR1H4 (0.33) L3MBTL1P2RX7
SCHEMBL3303524 0.80 ADORA1 (0.51) NR3C2ADORA1OPRM1
SCHEMBL1816105 0.74 KDM4E (0.44) L3MBTL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 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 (1 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT L3MBTL1 2170/4885NR3C2 1557/4885HDAC9 1882/4885

“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.