SCHEMBL3120938

SCHEMBL3120938

Cc1cc(C(N)=O)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
SIRT6 Q8N6T7 2/20 0.42
LCK P06239 1/20 0.40
NNMT P40261 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SCD O00767 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
APOBEC3A P31941 1/20 0.35
HTT P42858 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
SCHEMBL30625387 0.84 NOS3 (0.48) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL13859136 0.82 ALDH1A1 (0.38) KDM4EALDH1A1KMT2APOLBGABRP
SCHEMBL1180456 0.82 KDM4E (0.52) TSHRKDM4EALDH1A1KMT2ALMNA
SCHEMBL23948608 0.82 UHRF1 (0.52) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL29978511 0.82 ALDH1A1 (0.38) KDM4EALDH1A1KMT2APOLBGABRP
SCHEMBL17841571 0.81 POLB (0.38) SIRT6KDM4EALDH1A1KMT2APOLB
SCHEMBL1458785 0.80 P2RX7 (0.41) KDM4EALDH1A1LMNA
Potassium Ion SCHEMBL13731040 0.79 KDM4E (0.36) KDM4EALDH1A1KMT2APOLBHCRTR1
SCHEMBL1459953 0.78 MAPK1 (0.47) LCKKDM4EALDH1A1LMNAPOLB
SCHEMBL24665060 0.78 HPGD (0.36) TSHRKDM4EALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 TSHR 3325/4885ADORA3 3718/4885MC4R 885/4885
US-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 TSHR 822/4885ADORA3 18/4885MC4R 592/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 TSHR 822/4885ADORA3 18/4885MC4R 592/4885

“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.