SCHEMBL4387236

SCHEMBL4387236

O=C(C1CCCN1C(=O)OCc1ccccc1)N(F)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.54
CTRB1 P17538 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47

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
SCHEMBL4389258 0.90 PREP (0.53) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL3833139 0.83 F2 (0.37) PREPCTRB1KMT2AALDH1A1
SCHEMBL10223106 0.81 PREP (0.59) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL26364677 0.81 PREP (0.59) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL3208231 0.80 PREP (0.53) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10756725 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10756717 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL489615 0.80 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL2379314 0.79 TMEM97 (0.60) PREPCTRB1KDM1ARCOR1
SCHEMBL4382112 0.79 KDM4E (0.74) PREPCTRB1NPSR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L PREP 823/4885CTRB1 967/4885NPSR1 1746/4885

“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.