SCHEMBL14993421

SCHEMBL14993421

O=S(=O)(Cl)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.52
▸ ERN1 O75460 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GRM5 P41594 1/20 0.45

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
SCHEMBL27965841 0.86 FFAR1 (0.55) FFAR1ERN1GRM5
SCHEMBL30214468 0.79 FFAR1 (0.58) FFAR1ALDH1A1GRM5
SCHEMBL1809895 0.79 FFAR1 (0.58) FFAR1ALDH1A1GRM5
Hydrochloric Acid SCHEMBL19668206 0.77 FFAR1 (0.57) FFAR1ALDH1A1GRM5
SCHEMBL7868761 0.77 FFAR1 (0.64) FFAR1ERN1ALDH1A1
SCHEMBL28709978 0.77 CASP3 (0.53) FFAR1ERN1ALDH1A1GRM5
SCHEMBL352291 0.77 GRM5 (0.65) TDP1GRM5
SCHEMBL14061855 0.77 GRM5 (0.53) FFAR1ERN1GRM5
SCHEMBL5569770 0.77 GRM5 (0.53) FFAR1ERN1GRM5
SCHEMBL4750207 0.77 FFAR1 (0.53) FFAR1ERN1GRM5

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
US-20140315857-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS E. I. DUPONT DE NEMOURS AND COMPANY 2014-10-23 — — US disclosed
EP-2785694-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS E. I. Du Pont de Nemours and Company (US) 2014-10-08 — — EP disclosed
WO-2013081783-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 — — 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-20140315857-A1 N- (4 -QUINOLINYLMETHYL) SULFONAMIDE DERIVATIVES AND THEIR USE AS ANTHELMINTICS NQO2, SQOR, QSOX1 FFAR1 2775/4885ERN1 3739/4885ALDH1A1 506/4885

“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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