SCHEMBL2985626

SCHEMBL2985626

O=C1SC(=Cc2ccco2)C(=O)N1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 18/20 0.76
KMT2A Q03164 18/20 0.76
POLB P06746 15/20 0.76
MAPT P10636 13/20 0.76
ALDH1A1 P00352 12/20 0.76
L3MBTL1 Q9Y468 9/20 0.76
KDM4E B2RXH2 6/20 0.76
THRB P10828 1/20 0.76
MAPK1 P28482 1/20 0.76
RAB9A P51151 8/20 0.72
NPC1 O15118 5/20 0.72
RECQL P46063 5/20 0.72
LMNA P02545 4/20 0.72
HTT P42858 2/20 0.72
ALOX12 P18054 4/20 0.60
TDP1 Q9NUW8 4/20 0.60
HPGD P15428 1/20 0.60
BLM P54132 5/20 0.57
USP2 O75604 2/20 0.57
MCL1 Q07820 2/20 0.56

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
SCHEMBL5993381 0.88 MEN1 (0.60) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3012532 0.86 MEN1 (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL26459002 0.84 MAPT (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL9911664 0.79 MEN1 (0.62) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL2302382 0.78 KMT2A (0.62) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL2302380 0.78 KMT2A (0.62) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6282463 0.75 KMT2A (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3895245 0.75 KMT2A (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3897789 0.75 MEN1 (1.00) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3895249 0.75 KMT2A (1.00) MEN1KMT2APOLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466177-B2 Treating and preventing viral infections THE UAB RESEARCH FOUNDATION (US) 2013-06-18 US disclosed
US-20100286212-A1 Treating and Preventing Viral Infections THE UAB RESEARCH FOUNDATION (US) 2010-11-11 US disclosed
EP-2217573-A1 TREATING AND PREVENTING VIRAL INFECTIONS The UAB Research Foundation (US) 2010-08-18 EP disclosed
WO-2009059243-A1 TREATING AND PREVENTING VIRAL INFECTIONS THE UAB RESEARCH FOUNDATION (US) 2009-05-07 WO disclosed
US-20070077215-A1 Administration of phenylfurymethylthiazolidine-2,4-dione or phenylthienymethylthiazolidine-2,4-dione compounds for promoting and/or inducing and/or stimulating the pigmentation of keratinous substances and/or limiting their depigmentation and/or their whitening L'OREAL (FR) 2007-04-05 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-20070077215-A1 Administration of phenylfurymethylthiazolidine-2,4-dione or phenylthienymethylthiazolidine-2,4-dione compounds for promoting and/or inducing and/or stimulating the pigmentation of keratinous substances and/or limiting their depigmentation and/or their whitening TYR, KRT18, MITF MEN1 3959/4885KMT2A 82/4885POLB 1022/4885
US-20100286212-A1 Treating and Preventing Viral Infections HAVCR2, IRF3, MAVS MEN1 3172/4885KMT2A 3809/4885POLB 313/4885

“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.