SCHEMBL1824174

SCHEMBL1824174

NC(=O)c1cc(Br)cc(C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.60
▸ TSHR P16473 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ POLB P06746 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL1006449 0.94 PARP1 (0.60) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL25159913 0.85 PARP1 (0.52) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL15484864 0.85 PARP1 (0.52) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL813450 0.85 PARP1 (0.53) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL12607365 0.84 PARP1 (0.50) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL31222695 0.84 PARP1 (0.50) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL5223135 0.84 PARP1 (0.50) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL1363329 0.84 PARP1 (0.50) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL1363884 0.84 PARP1 (0.50) PARP1TSHRHTTAPOBEC3AAPOBEC3G
SCHEMBL14783973 0.83 NOTUM (0.57) PARP1TSHRHTTAPOBEC3AAPOBEC3G

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
US-11031561-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-06-08 — — US disclosed
US-11031561-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-06-08 — — US disclosed
US-20200168807-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME DYDEN CORPORATION (JP) 2020-05-28 — — US disclosed
US-20200168807-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME DYDEN CORPORATION (JP) 2020-05-28 — — US disclosed
CN-108475734-B Organic electron transport material and organic electroluminescent element using same 大电株式会社 2020-04-21 — — CN disclosed
WO-2017115578-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 大電株式会社 2017-07-06 — — WO disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 — — US disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 — — US disclosed
EP-2324032-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2011-05-25 — — EP disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — WO disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 — — 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP PARP1 1563/4885TSHR 4799/4885HTT 808/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP PARP1 1563/4885TSHR 4799/4885HTT 808/4885

“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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