SCHEMBL3058700

SCHEMBL3058700

NNC(=O)Cc1cc(C(=O)c2ccc(Br)cc2)sc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
OGG1 O15527 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
PTGS1 P23219 1/20 0.38
ADORA1 P30542 1/20 0.38
PTGS2 P35354 1/20 0.38
ERO1A Q96HE7 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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 0.91 KMT2A (0.58) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL16904651 0.87 MAPT (0.68) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL16904662 0.84 MAPT (0.56) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL3058707 0.82 MAPT (0.40) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL3060581 0.80 KMT2A (0.49) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL16893446 0.77 MAPT (0.57) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL3042819 0.76 KMT2A (0.44) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL3058715 0.74 KMT2A (0.55) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL16893413 0.74 MAPT (0.46) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL15117478 0.73 KMT2A (0.42) MAPTKMT2AALDH1A1MEN1HTT

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 8 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
WO-2008051197-A2 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-05-02 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-20100260778-A1 SMALL-MOLECULE BOTULINUM TOXIN INHIBITORS BTD, RAC2, BTN3A1 MAPT 638/4885KMT2A 3518/4885ALDH1A1 4489/4885
US-20150197530-A1 USEFUL THIOPHENE DERIVATIVES IN THE TREATMENT OF DIABETES SLC5A2, SLC5A1, TPMT MAPT 46/4885KMT2A 4602/4885ALDH1A1 1135/4885

“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.