SCHEMBL844244

SCHEMBL844244

Clc1ccnc(Cl)c1CBr

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
AXL P30530 1/20 0.32
PRKCI P41743 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
DAO P14920 1/20 0.31

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
Bromide SCHEMBL959014 0.98 MPO (0.35) MPOSMN1; SMN2TAAR1AXLPRKCI
SCHEMBL27979579 0.83 MPO (0.35) MPOSMN1; SMN2TAAR1AXLPRKCI
SCHEMBL23847865 0.80 PRKCI (0.31) SMN1; SMN2PRKCILMNAALDH1A1
SCHEMBL25184014 0.79 MPO (0.37) MPOSMN1; SMN2TAAR1AXLPRKCI
SCHEMBL26618679 0.78 TDP1 (0.34) SMN1; SMN2TAAR1LMNAALDH1A1
SCHEMBL31667708 0.78 NOS2 (0.42) SMN1; SMN2TAAR1LMNAALDH1A1
SCHEMBL28065177 0.78 NOS2 (0.42) SMN1; SMN2TAAR1LMNAALDH1A1
SCHEMBL31280885 0.78 ALDH1A1 (0.30) SMN1; SMN2LMNAALDH1A1
SCHEMBL29825595 0.78 TDP1 (0.34) SMN1; SMN2TAAR1LMNAALDH1A1
SCHEMBL26695671 0.78 ALDH1A1 (0.30) SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431362-A Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-02-14 CN disclosed
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
CN-104039791-B [1, 2, 3] triazolo [4, 5-D ] pyrimidine derivatives as cannabinoid receptor 2 agonists 霍夫曼-拉罗奇有限公司 2016-11-09 CN disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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 (4 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP MPO 1937/4885SMN1; SMN2 741/4885TAAR1 3086/4885
US-20170275268-A1 HETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 MPO 4809/4885SMN1; SMN2 3689/4885TAAR1 4175/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B MPO 2902/4885SMN1; SMN2 1545/4885TAAR1 117/4885
US-20160046604-A1 HETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 MPO 4810/4885SMN1; SMN2 3357/4885TAAR1 4199/4885

“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.