SCHEMBL1815542

SCHEMBL1815542

Cc1cccc(F)c1-n1nc(C)c(Br)c1NC1(C)C=CC=CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 2/20 0.33
WNT3A P56704 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL1818958 0.89 SCN9A (0.37) HDAC9WNT3AL3MBTL1
SCHEMBL3261317 0.84 NTRK1 (0.38)
SCHEMBL3299195 0.82 L3MBTL1 (0.34) HDAC9L3MBTL1
SCHEMBL1814784 0.82 OPRM1 (0.38) L3MBTL1
SCHEMBL3306636 0.82 KMT2A (0.36) HDAC9
SCHEMBL3305073 0.81 ADORA1 (0.49)
SCHEMBL3306666 0.80 OPRM1 (0.36) WNT3A
SCHEMBL1814343 0.80 NR1H4 (0.33) L3MBTL1
SCHEMBL1814085 0.71 KCNJ6 (0.37)
SCHEMBL1815547 0.70 KDM4E (0.42) HDAC9WNT3A

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 HDAC9 1882/4885WNT3A 3757/4885L3MBTL1 2170/4885

“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.