SCHEMBL5032709

SCHEMBL5032709

COc1ccc(CBr)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MBOAT4 Q96T53 1/20 0.40
MCHR1 Q99705 1/20 0.38
GSK3B P49841 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 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
SCHEMBL30015156 1.00 CA12 (0.40) CA12CA1CA2CA7CA9
Bromide SCHEMBL30309620 0.98 MBOAT4 (0.39) CA12CA1CA2CA7CA9
Bromide SCHEMBL20743473 0.98 MBOAT4 (0.39) CA12CA1CA2CA7CA9
SCHEMBL31338938 0.84 MCHR1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1581469 0.81 PDE10A (0.43) CA12CA1CA2CA7CA9
SCHEMBL21909726 0.79 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL22959296 0.79 IDO1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL10002478 0.79 MAOB (0.43) CA12CA1CA2CA7CA9
SCHEMBL19432655 0.79 MBOAT4 (0.43) CA12CA1CA2CA7CA9
SCHEMBL731990 0.79 P2RX7 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US claimed
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
EP-4077306-B1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2025-05-07 EP disclosed
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
US-11992535-B2 Compounds and probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-05-28 US disclosed
CN-110914280-B 6H-thieno [2,3-e ] [1,2,4] triazolo [3,4-c ] [1,2,4] triazab derivatives 阿尤米制药公司 2024-05-03 CN disclosed
EP-4077306-A1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-10-26 EP disclosed
CN-113999232-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 CN disclosed
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative AYUMI PHARMACEUTICAL CORPORATION (JP) 2021-11-30 US disclosed
CN-110294732-B Pharmaceutical compound for treating liver diseases and application thereof 江苏新元素医药科技有限公司 2021-10-26 CN disclosed
EP-1620445-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-01 EP disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
EP-1575486-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-09-21 EP disclosed
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. 2005-09-08 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1501841-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2005-02-02 EP disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 US disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 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 (7 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-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CA12 3470/4885CA1 3093/4885CA2 3487/4885
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 CA12 4590/4885CA1 4427/4885CA2 3432/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS CA12 3470/4885CA1 3093/4885CA2 3487/4885
US-11186588-B2 6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,2,4]triazepine derivative BRD4, BRD3, BRD2 CA12 4849/4885CA1 4732/4885CA2 4510/4885
US-20050197320-A1 Non nucleoside reverse transcriptase inhibitors TYMP, PNP, ITPA CA12 3934/4885CA1 2601/4885CA2 1548/4885
US-11992535-B2 Compounds and probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CA12 3471/4885CA1 1874/4885CA2 3779/4885
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CA12 1025/4885CA1 715/4885CA2 1345/4885

“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.