SCHEMBL2987796

SCHEMBL2987796

O=C1SC(=Cc2cccs2)C(=O)N1c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.77
▸ KMT2A Q03164 11/20 0.77
▸ NPC1 O15118 7/20 0.77
▸ RAB9A P51151 7/20 0.77
▸ POLB P06746 4/20 0.77
▸ ALDH1A1 P00352 8/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 9/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HPGD P15428 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ LMNA P02545 1/20 0.47

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
SCHEMBL2993239 0.85 MEN1 (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL9911664 0.81 MEN1 (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL29517929 0.81 MEN1 (0.66) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2985626 0.74 MEN1 (0.76) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL24487208 0.73 MEN1 (0.78) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL20534435 0.72 KDR (0.66) MEN1KMT2APOLBMAPT
SCHEMBL20534434 0.72 KDR (0.66) MEN1KMT2APOLBMAPT
SCHEMBL2302380 0.71 KMT2A (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2302382 0.71 KMT2A (0.62) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13057222 0.71 S1PR3 (0.55) MEN1KMT2ANPC1RAB9APOLB

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
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO disclosed
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
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 82/4885NPC1 3122/4885
US-20100286212-A1 Treating and Preventing Viral Infections HAVCR2, IRF3, MAVS MEN1 3172/4885KMT2A 3809/4885NPC1 368/4885

“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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