SCHEMBL1085685

SCHEMBL1085685

Cn1cc(Cl)c(C(Cl)Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
CTH P32929 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1086231 0.76 SMN1; SMN2 (0.35) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL3254686 0.71
SCHEMBL3254688 0.71 RAB9A (0.33) SMN1; SMN2RAB9ANPC1LMNARXFP1
SCHEMBL3251664 0.71 GAA (0.34) KDM4ESMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL28855633 0.70
SCHEMBL21803165 0.69 LMNA (0.33) SMN1; SMN2LMNATSHR
SCHEMBL21803166 0.69 LMNA (0.33) SMN1; SMN2LMNATSHR
SCHEMBL1197539 0.69
SCHEMBL16178297 0.67
SCHEMBL5697417 0.65 BRAF (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164831-B1 METHOD FOR THE PRODUCTION OF N-SUBSTITUTED (3-DIHALOMETHYL-1-METHYL-PYRAZOLE-4-YL) CARBOXAMIDES BASF SE (DE) 2013-07-17 EP disclosed
CN-101679282-B Process for producing N-substituted (3-dihalomethyl-1-methylpyrazol-4-yl) carboxamides BASF SE 2012-11-28 CN disclosed
US-8153820-B2 Method for the production of N-substituted (3-dihalomethyl-1-methylpyrazol-4-yl) carboxamides BASF SE (DE) 2012-04-10 US disclosed
US-20100174094-A1 Method for the Production of N-Substituted (3-Dihalomethyl-1-Methyl-Pyrazole-4-yl) Carboxamides BASF SE (DE) 2010-07-08 US disclosed
EP-2164831-A1 METHOD FOR THE PRODUCTION OF N-SUBSTITUTED (3-DIHALOMETHYL-1-METHYL-PYRAZOLE-4-YL) CARBOXAMIDES Basf Se (DE) 2010-03-24 EP disclosed
CN-101679282-A Process for producing N-substituted (3-dihalomethyl-1-methylpyrazol-4-yl) carboxamides BASF SE 2010-03-24 CN disclosed
WO-2008145740-A1 METHOD FOR THE PRODUCTION OF N-SUBSTITUTED (3-DIHALOMETHYL-1-METHYL-PYRAZOLE-4-YL) CARBOXAMIDES BASF SE (DE) 2008-12-04 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 (1 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-20100174094-A1 Method for the Production of N-Substituted (3-Dihalomethyl-1-Methyl-Pyrazole-4-yl) Carboxamides CBR3, CBR1, CYC1 KDM4E 1700/4885SMN1; SMN2 3019/4885RAB9A 2876/4885

“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.