SCHEMBL16932494

SCHEMBL16932494

O=C1c2cc(Br)sc2C(=O)N1c1c(F)cc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MT-CO1 P00395 1/20 0.34
▸ MT-CO2 P00403 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16485573 0.79 PIK3CA (0.30) —
SCHEMBL15967406 0.73 CES1 (0.37) PTGS1PTGS2
SCHEMBL17148355 0.67 APP (0.38) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL14268820 0.66 TERT (0.38) KDM4ECYP1A2CYP2C9HPGDCYP2C19
SCHEMBL11716549 0.62 GRM7 (0.34) —
SCHEMBL11980220 0.61 PTGS1 (0.39) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL11095035 0.60 GAA (0.37) —
SCHEMBL15979463 0.60 PTGS1 (0.40) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL17296104 0.60 PTGS1 (0.33) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL20434478 0.60 — —

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-9508936-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2016-11-29 — — US disclosed
US-9508936-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2016-11-29 — — US disclosed
US-9508936-B2 Organic semiconductor material E.T.C. S.R.L. (IT) 2016-11-29 — — US disclosed
EP-2768835-B1 5H-THIENO[2,3-c]PYRROLE-4,6-DIONE BASED ORGANIC SEMICONDUCTOR MATERIAL E T C SRL (IT) 2016-04-27 — — EP disclosed
EP-2768835-B1 5H-THIENO[2,3-c]PYRROLE-4,6-DIONE BASED ORGANIC SEMICONDUCTOR MATERIAL E T C SRL (IT) 2016-04-27 — — EP disclosed
US-20150214488-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-07-30 — — US disclosed
US-20150214488-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-07-30 — — US disclosed
US-20150214488-A1 ORGANIC SEMICONDUCTOR MATERIAL USINVEST LLC 2015-07-30 — — 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 (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-20150214488-A1 ORGANIC SEMICONDUCTOR MATERIAL OR10J3, OR51E2, MSI2 PTGS1 4225/4885PTGS2 4194/4885KDM4E 2520/4885

“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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