SCHEMBL3060581

SCHEMBL3060581

O=C(Cc1cc(C(=O)c2ccc(Cl)cc2)sc1-c1ccccc1)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 2/20 0.46
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NFKB1 P19838 1/20 0.41
PPARG P37231 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL3057661 0.89 KMT2A (0.58) KMT2ATP53ALOX15MAPK1NPC1
SCHEMBL3058715 0.88 KMT2A (0.55) KMT2ATP53NPC1RAB9AALDH1A1
SCHEMBL15546901 0.85 MEN1 (0.59) KMT2ATP53RAB9AMAPTMEN1
SCHEMBL3053459 0.85 MEN1 (0.50) KMT2ANPC1RAB9AALDH1A1CYP1A2
SCHEMBL15546267 0.83 KMT2A (0.57) KMT2ATP53NPC1RAB9AALDH1A1
SCHEMBL3042819 0.81 KMT2A (0.44) KMT2ATP53ALOX15MAPK1ALDH1A1
SCHEMBL3058700 0.80 MAPT (0.56) KMT2ATP53ALOX15MAPK1NPC1
SCHEMBL16893537 0.80 MAPK14 (0.45) KMT2ATP53ALOX15MAPK1NPC1
SCHEMBL3058848 0.79 CASP3 (0.51) KMT2ATP53ALOX15MAPK1NPC1
SCHEMBL16893446 0.78 MAPT (0.57) KMT2ATP53MAPK1NPC1RAB9A

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
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
US-9777015-B2 Useful thiophene derivatives in the treatment of diabetes METABRAIN RESEARCH (FR) 2017-10-03 US disclosed
EP-2875010-B1 THIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES METABRAIN RES (FR) 2016-08-31 EP disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES METABRAIN RESEARCH (FR) 2015-07-16 US disclosed
US-8492428-B2 Small-molecule botulinum toxin inhibitors MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-07-23 US disclosed
US-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2010-10-14 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-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, RAC2, BTN3A1 KMT2A 3518/4885TP53 4436/4885ALOX15 666/4885
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES SLC5A2, SLC5A1, TPMT KMT2A 4602/4885TP53 980/4885ALOX15 1723/4885

“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.