SCHEMBL2961818

SCHEMBL2961818

COC(=O)c1ccc(Br)c[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RECQL P46063 3/20 0.38
MAPT P10636 3/20 0.36
NR4A2 P43354 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
GRK2 P25098 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PRKCZ Q05513 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PSMD14 O00487 1/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 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
SCHEMBL20578309 0.81 NHERF1 (0.45) ALDH1A1RECQLMAPTLMNAMAPK1
SCHEMBL29877642 0.80 TDP1 (0.47) ALDH1A1MAPTNR4A2TP53KMT2A
SCHEMBL2255243 0.80 TDP1 (0.47) ALDH1A1MAPTNR4A2TP53KMT2A
SCHEMBL1615851 0.80 CA1 (0.47) ALDH1A1MAPTMAPK1KMT2APOLB
SCHEMBL29550577 0.80 CA1 (0.47) ALDH1A1MAPTMAPK1KMT2APOLB
SCHEMBL2944972 0.80 CA1 (0.47) ALDH1A1LMNAPOLBTDP1TSHR
SCHEMBL2593656 0.79 NPC1 (0.40) SLC6A3MAPTLMNAMAPK1F2
SCHEMBL643137 0.79 ALDH1A1 (0.41) ALDH1A1RECQLMAPTLMNAL3MBTL1
SCHEMBL2977543 0.77 KDM4E (0.39) ALDH1A1KMT2AKDM4EMMP2MEN1
SCHEMBL29381019 0.75 CA1 (0.35) MAPTKDM4EMMP2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 US disclosed
EP-4419525-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-17 US disclosed
WO-2025073792-A1 WRN INHIBITORY COMPOUNDS FORX THERAPEUTICS AG (CH) 2025-04-10 WO disclosed
CN-115244043-B Benzimidazolone cinnamamide derivatives as TRPV1 antagonists and pharmaceutical composition for treating or preventing pain containing the same as active ingredient 杰迈肯有限公司 2025-02-25 CN disclosed
EP-4419525-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
CN-118556059-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-08-27 CN disclosed
EP-4095133-B1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT JMACKEM CO LTD (KR) 2024-07-24 EP disclosed
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed
US-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT JMACKEM CO., LTD (KR) 2023-05-11 US disclosed
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (US) 2014-04-17 US disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
US-8637520-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2014-01-28 US disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20100267701-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 US disclosed
US-7777031-B2 Substituted pyridyl amide compounds as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-08-17 US disclosed
US-20070281923-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 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 (8 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP SLC6A3 4299/4885ALDH1A1 2369/4885RECQL 2916/4885
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 SLC6A3 4234/4885ALDH1A1 2782/4885RECQL 3440/4885
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 SLC6A3 1475/4885ALDH1A1 269/4885RECQL 488/4885
US-20100267701-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 SLC6A3 1236/4885ALDH1A1 3381/4885RECQL 2581/4885
US-20070281923-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 SLC6A3 1236/4885ALDH1A1 3381/4885RECQL 2581/4885
US-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT TRPV1, TRPA1, TRPV5 SLC6A3 3769/4885ALDH1A1 1330/4885RECQL 4532/4885
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA SLC6A3 2805/4885ALDH1A1 174/4885RECQL 348/4885
US-20140107105-A1 SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 SLC6A3 1236/4885ALDH1A1 3381/4885RECQL 2581/4885

“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.