SCHEMBL13858582

SCHEMBL13858582

CCCCN1C(=O)c2cc(-c3cccs3)sc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RGS12 O14924 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL15720278 0.96 DPP4 (0.39) ALDH1A1KDM4EPOLBTSHRPKM
SCHEMBL13858494 0.85 MAPK1 (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL17014620 0.80 HSF1 (0.39) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL13978139 0.80 TNFRSF1A (0.36) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL15720645 0.79 TNFRSF1A (0.35) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL15739857 0.78 MEN1 (0.33) ALDH1A1POLBHSD17B10MEN1KMT2A
SCHEMBL15739393 0.77 MAPK1 (0.33) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL15739370 0.76 CDC25A (0.34) ALDH1A1TDP1L3MBTL1ALDH2ALDH3A1
SCHEMBL17014621 0.75 CDC25A (0.39) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL15720775 0.75 CDC25A (0.39) ALDH1A1ALDH2ALDH3A1CES1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761810-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2017-09-12 — — US disclosed
US-9761810-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2017-09-12 — — US disclosed
US-9761810-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2017-09-12 — — US disclosed
US-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-10-29 — — US disclosed
US-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-10-29 — — US disclosed
US-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-10-29 — — US disclosed
EP-2710012-B1 ORGANIC SEMICONDUCTOR MATERIAL E T C SRL (IT) 2015-06-24 — — EP disclosed
EP-2710012-B1 ORGANIC SEMICONDUCTOR MATERIAL E T C SRL (IT) 2015-06-24 — — EP disclosed
US-20140217374-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2014-08-07 — — US disclosed
US-20140217374-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2014-08-07 — — US disclosed
US-20140217374-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2014-08-07 — — US disclosed
EP-2710012-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.r.l. (IT) 2014-03-26 — — EP disclosed
WO-2012156948-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2012-11-22 — — WO disclosed
WO-2012156948-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2012-11-22 — — 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-20150311448-A1 ORGANIC SEMICONDUCTOR MATERIAL OR10J3, TST, OR51E2 ALDH1A1 2895/4885KDM4E 1994/4885POLB 851/4885

“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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