SCHEMBL3140112

SCHEMBL3140112

O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.54
▸ CTRB1 P17538 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ KCNQ1 P51787 2/20 0.52
▸ ENPP2 Q13822 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KDM1A O60341 1/20 0.50
▸ RCOR1 Q9UKL0 1/20 0.50
▸ CNR2 P34972 1/20 0.49

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
SCHEMBL13524046 1.00 NPSR1 (0.54) NPSR1CTRB1GFERNPC1RAB9A
SCHEMBL13524122 0.91 NPSR1 (0.56) NPSR1CTRB1GFERALDH1A1TSHR
SCHEMBL3133725 0.91 NPSR1 (0.56) NPSR1CTRB1GFERALDH1A1TSHR
SCHEMBL3130522 0.91 NPSR1 (0.57) NPSR1CTRB1GFERRAB9AALDH1A1
SCHEMBL13524055 0.91 NPSR1 (0.57) NPSR1CTRB1GFERRAB9AALDH1A1
SCHEMBL3140343 0.90 KCNQ1 (0.58) NPSR1CTRB1GFERALDH1A1TSHR
SCHEMBL13524070 0.90 KCNQ1 (0.58) NPSR1CTRB1GFERALDH1A1TSHR
SCHEMBL3139454 0.90 CNR2 (0.59) NPSR1CTRB1GFERALDH1A1TSHR
SCHEMBL13524287 0.90 CNR2 (0.59) NPSR1CTRB1GFERALDH1A1TSHR
SCHEMBL3144625 0.90 KCNQ1 (0.56) NPSR1CTRB1GFERALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 — — US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 — — US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 — — EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — 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 (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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 NPSR1 2060/4885CTRB1 1287/4885GFER 2306/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 NPSR1 2060/4885CTRB1 1287/4885GFER 2306/4885

“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.

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