SCHEMBL3017872

SCHEMBL3017872

CNS(=O)(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KIF11 P52732 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
IDO1 P14902 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL31444289 0.88 IDO1 (0.44) LMNAL3MBTL1KIF11SMN1; SMN2GAA
SCHEMBL30414111 0.88 IDO1 (0.44) LMNAL3MBTL1KIF11SMN1; SMN2GAA
SCHEMBL20779633 0.85 CA1 (0.50) LMNAL3MBTL1KIF11SMN1; SMN2GAA
SCHEMBL425487 0.82 KMT2A (0.58) LMNAL3MBTL1KIF11SMN1; SMN2GAA
SCHEMBL29130981 0.81 CA1 (0.47) KIF11SMN1; SMN2IDO1CA12CA1
SCHEMBL29498627 0.81 KMT2A (0.51) LMNASMN1; SMN2IDO1ALDH1A1KMT2A
SCHEMBL30817631 0.81 ALDH1A1 (0.48) IDO1ALDH1A1KMT2APNMT
SCHEMBL3006563 0.81 ALDH1A1 (0.63) SMN1; SMN2IDO1CA1CA2CA9
SCHEMBL3021159 0.81 ALDH1A1 (0.48) IDO1ALDH1A1KMT2APNMT
SCHEMBL19994876 0.81 KMT2A (0.51) LMNASMN1; SMN2IDO1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023393-A1 KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2020-01-30 WO disclosed
WO-2020023393-A1 KINASE ANTAGONISTS AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2020-01-30 WO disclosed
US-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor WYETH LLC (US) 2010-08-12 US disclosed
US-7723332-B2 Aryl sulfonamides useful for modulation of the progesterone receptor WYETH LLC (US) 2010-05-25 US disclosed
EP-2137145-A2 CYANOPYRROL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-12-30 EP disclosed
WO-2008109055-A2 CYANOPYRROLE SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO disclosed
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake WYETH (US) 2008-09-11 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 (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-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor FSHR, GNRHR, CYP19A1 LMNA 541/4885L3MBTL1 3435/4885KIF11 4409/4885
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake PKD1, PKD2, SHBG LMNA 228/4885L3MBTL1 1965/4885KIF11 3274/4885

“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.