SCHEMBL10129973

SCHEMBL10129973

CC(=O)Nc1c(F)ccc(Br)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KCNJ11 Q14654 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30262599 1.00 IDO1 (0.43) IDO1RXFP1KCNJ11HDAC1HDAC6
SCHEMBL21807214 0.85 RXFP1 (0.42) IDO1RXFP1KCNJ11HDAC1HDAC6
SCHEMBL1494522 0.83 KMT2A (0.37) IDO1HDAC1HDAC6CA1CA2
SCHEMBL29181923 0.81 RXFP1 (0.39) IDO1RXFP1KCNJ11HDAC1HDAC6
SCHEMBL30387764 0.81 L3MBTL1 (0.44) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL28439006 0.81 L3MBTL1 (0.44) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL25383118 0.80 RXFP1 (0.38) IDO1RXFP1KCNJ11HDAC1HDAC6
SCHEMBL30574916 0.80 RXFP1 (0.38) IDO1RXFP1KCNJ11HDAC1HDAC6
SCHEMBL30956710 0.79 ALDH1A1 (0.44) HDAC1HDAC6CA1CA2CA9
SCHEMBL20833608 0.79 ALDH1A1 (0.44) HDAC1HDAC6CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4617273-A1 FUSED TRICYCLIC PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2025-09-17 EP disclosed
WO-2024099416-A1 FUSED TRICYCLIC PARP1 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海海和药物研究开发股份有限公司 2024-05-16 WO disclosed
CN-118005637-A Fused tricyclic PARP1 inhibitor, preparation method and application thereof 上海海和药物研究开发股份有限公司 2024-05-10 CN disclosed
CN-110545811-B Remote heteroarene alkylation using a catalytic bifunctional template 斯克利普斯研究院 2023-02-14 CN disclosed
US-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template THE SCRIPPS RESEARCH INSTITUTE 2020-04-30 US disclosed
CN-110545811-A remote heteroarene alkylation using a catalytic bifunctional template SCRIPPS RES INSTITUTE 2019-12-06 CN disclosed
WO-2018152107-A1 REMOTE HETEROARYL ALKENYLATION WITH CATALYTIC BIFUNCTIONAL TEMPLATE THE SCRIPPS RESEARCH INSTITUTE (US) 2018-08-23 WO disclosed
EP-2655355-B1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012085127-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (3 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-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 IDO1 2823/4885RXFP1 3154/4885KCNJ11 2385/4885
US-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template APEH, ALKBH3, JMJD7 IDO1 594/4885RXFP1 4808/4885KCNJ11 2193/4885
US-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template APEH, ALKBH3, JMJD7 IDO1 594/4885RXFP1 4808/4885KCNJ11 2193/4885

“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.