SCHEMBL1818958

SCHEMBL1818958

Cc1nn(-c2cccc(F)c2C)c(NC2(C)C=CC=CC2C(=O)O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
SCN5A Q14524 1/20 0.31
HDAC9 Q9UKV0 1/20 0.30
WNT3A P56704 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
SCHEMBL1815542 0.89 HDAC9 (0.33) L3MBTL1HDAC9WNT3A
SCHEMBL1814784 0.86 OPRM1 (0.38) L3MBTL1
SCHEMBL3308257 0.86 L3MBTL1 (0.34) L3MBTL1
SCHEMBL1814343 0.85 NR1H4 (0.33) L3MBTL1
SCHEMBL3261317 0.84 NTRK1 (0.38)
SCHEMBL3299195 0.84 L3MBTL1 (0.34) L3MBTL1HDAC9
SCHEMBL3306666 0.82 OPRM1 (0.36) WNT3A
SCHEMBL1814085 0.81 KCNJ6 (0.37) SCN9A
SCHEMBL1820411 0.80 ADORA1 (0.51) SCN9A
SCHEMBL3306636 0.72 KMT2A (0.36) HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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 SCN9A 3297/4885L3MBTL1 2170/4885SCN5A 522/4885

“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.