SCHEMBL1086231

SCHEMBL1086231

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 1/20 0.33
PAK4 O96013 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 3/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
HPGD P15428 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
SCHEMBL14001974 0.80 PAK4 (0.40) SMN1; SMN2NPSR1PAK4ALDH1A1LMNA
SCHEMBL1085819 0.78 NPSR1 (0.33) SMN1; SMN2NPSR1PAK4ALDH1A1LMNA
SCHEMBL15742226 0.77 NPSR1 (0.36) SMN1; SMN2NPSR1PAK4ALDH1A1LMNA
SCHEMBL1085685 0.76 KDM4E (0.34) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL15742361 0.72 LMNA (0.33) SMN1; SMN2NPSR1ALDH1A1LMNANPC1
SCHEMBL15292260 0.71
SCHEMBL1357520 0.70
SCHEMBL23212183 0.70 ALDH1A1 (0.35) SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL3254688 0.69 RAB9A (0.33) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL3251664 0.69 GAA (0.34) SMN1; SMN2ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195678-A Intermediate, preparation method thereof and method for preparing 3-difluoromethyl-1-methylpyrazole-4-ethyl formate by using intermediate 江苏七洲绿色科技研究院有限公司 2022-03-18 CN disclosed
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-20100256390-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
US-20100256390-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 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-2009000442-A2 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2008-12-31 WO 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 (2 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-20100256390-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES CYP2F1, CYP4F3, CYP4F11 SMN1; SMN2 4819/4885NPSR1 2658/4885PAK4 1601/4885
US-20100174094-A1 Method for the Production of N-Substituted (3-Dihalomethyl-1-Methyl-Pyrazole-4-yl) Carboxamides CBR3, CBR1, CYC1 SMN1; SMN2 3019/4885NPSR1 1894/4885PAK4 4373/4885

“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.