SCHEMBL12530900

SCHEMBL12530900

O=C(NCc1ccccn1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ADRA1A P35348 1/20 0.54

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
SCHEMBL1169464 0.81 PRMT1 (0.74) SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL20379469 0.79 NPC1 (0.78) SMN1; SMN2ALDH1A1ALOX15KMT2AMEN1
SCHEMBL21065524 0.77 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1ALOX15KMT2AMEN1
SCHEMBL29460273 0.77 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1ALOX15KMT2AMEN1
SCHEMBL175437 0.75 NPC1 (0.72) SMN1; SMN2ALOX15KMT2AMEN1MAPT
SCHEMBL11626590 0.75 POLB (0.74) SMN1; SMN2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL1830014 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1830012 0.75 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19361072 0.73 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1MAPTLMNACYP3A4
SCHEMBL10913233 0.72 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1HPGDKMT2AMEN1

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-8703749-B2 Compositions and methods for treating Friedreich's Ataxia FRATAGENE THERAPEUTICS S.R.L. (IT) 2014-04-22 — — US disclosed
US-20130109658-A1 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA FRATAGENE THERAPEUTICS S.R.L. (IT) 2013-05-02 — — US disclosed
WO-2011070444-A2 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA TESTI ROBERTO (IT) 2011-06-16 — — 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-20130109658-A1 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA ATXN2, ATXN2L, ATXN10 PTGS1 2687/4885PTGS2 2552/4885SMN1; SMN2 7/4885

“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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