SCHEMBL255939

SCHEMBL255939

COC(=O)c1cc(Br)c2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
CHEK1 O14757 2/20 0.44
CDK8 P49336 1/20 0.43
XDH P47989 3/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
PTPN11 Q06124 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL30781376 1.00 NOTUM (0.44) NOTUMCHEK1CDK8XDHKDM4E
SCHEMBL15683164 0.84 CA12 (0.45) KDM4EALDH1A1CA12CA1CA2
SCHEMBL27124320 0.84 CA12 (0.38) NOTUMCHEK1XDHCA12CA1
SCHEMBL143239 0.83 CDK8 (0.44) CDK8XDHKDM4EALDH1A1CA12
SCHEMBL18031517 0.83 KDM4E (0.53) CDK8XDHKDM4EALDH1A1CA12
SCHEMBL18031228 0.83 CYP3A4 (0.50) CDK8XDHKDM4EALDH1A1CA12
SCHEMBL121724 0.82 PLK4 (0.38) CDK8KDM4EALDH1A1HSD17B10MAPT
SCHEMBL7926728 0.81 CYP2D6 (0.49) CDK8XDHKDM4EALDH1A1CA12
SCHEMBL28362761 0.81 KDM4E (0.49) CDK8XDHKDM4EALDH1A1CA12
SCHEMBL7920910 0.81 CDK8 (0.46) CHEK1CDK8XDHKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092045-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2026-04-02 US disclosed
EP-4524133-A2 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2025-03-19 EP disclosed
EP-3939658-B1 SUBSTITUTED BENZOPYRROLE AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2024-10-02 EP disclosed
US-20240294494-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-09-05 US disclosed
US-12043610-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
US-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 WO disclosed
US-11866418-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-01-09 US disclosed
CN-117164499-A Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-12-05 CN disclosed
CN-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 CN disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (6 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-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA NOTUM 173/4885CHEK1 4405/4885CDK8 4407/4885
US-20240294494-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS C9, C5, C1QBP NOTUM 875/4885CHEK1 1561/4885CDK8 2059/4885
US-12043610-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP NOTUM 875/4885CHEK1 1561/4885CDK8 2059/4885
US-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 NOTUM 3224/4885CHEK1 2412/4885CDK8 397/4885
US-11866418-B2 Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors C9, C5, C1QBP NOTUM 875/4885CHEK1 1561/4885CDK8 2059/4885
US-20260092045-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS TFPI, F3, BTK NOTUM 1252/4885CHEK1 3357/4885CDK8 4563/4885

“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.