SCHEMBL1085490

SCHEMBL1085490

Cn1cc(C(=O)Nc2ccccc2-c2ccccc2)c(C(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
HTT P42858 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 2/20 0.47
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNQ2 O43526 1/20 0.43

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
SCHEMBL20875262 0.93 NTRK1 (0.52) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL1145015 0.93 ATM (0.46) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL10060307 0.92 LMNA (0.50) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL28930105 0.92 LMNA (0.43) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL31427520 0.92 LMNA (0.43) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL121957 0.91 TDP1 (0.53) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL1134831 0.91 ATM (0.49) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL29419144 0.91 TDP1 (0.53) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL31427500 0.91 RAB9A (0.46) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL31427523 0.91 ABCG2 (0.51) ALDH1A1LMNAHTTMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891940-A Process for preparing pyrazole-4-carboxamide derivatives 日本凡凯姆股份有限公司 2020-03-17 CN disclosed
US-8211828-B2 Fungicidal mixtures of 1-methylpyrazol-4-ylcarboxanilides and azolopyrimidinylamines BASF SE (DE) 2012-07-03 US disclosed
US-8153819-B2 Fungicidal mixtures comprising substituted 1-methylpyrazol-4-ylcarboxanilides BASF SE (DE) 2012-04-10 US disclosed
US-20110105331-A1 Method of Plant Growth Promotion Using Amide Compounds BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
US-20100056477-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-20100035753-A1 Fungicidal Mixtures Comprising Substituted 1-methylpyrazol-4-ylcarboxanilides BASF SE (DE) 2010-02-11 US disclosed
US-20090318291-A1 Fungicidal mixtures of 1-methylpyrazol-4-ylcarboxanilides and azolopyrimidinylamines BASF SE (DE) 2009-12-24 US disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-20080293798-A1 Fungicidal Mixtures Comprising Substituted 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGELSELLSCHAFT (DE) 2008-11-27 US disclosed
WO-2008064780-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2008-06-05 WO disclosed
US-20080108686-A1 N-(Ortho-Phenyl)-1-Methyl-3-Difluoromethylpyrazole-4-Carboxanilides And Their Use As Fungicides BASF AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-20080108686-A1 N-(Ortho-Phenyl)-1-Methyl-3-Difluoromethylpyrazole-4-Carboxanilides And Their Use As Fungicides BASF AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 US disclosed
WO-2008014955-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-07 WO disclosed
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 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 (7 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-20090318291-A1 Fungicidal mixtures of 1-methylpyrazol-4-ylcarboxanilides and azolopyrimidinylamines ERG28, AZI2, CYP51A1 ALDH1A1 1162/4885LMNA 1883/4885HTT 3330/4885
US-20080293798-A1 Fungicidal Mixtures Comprising Substituted 1-Methylpyrazol-4-Ylcarboxanilides CBR3, CBR1, CTRL ALDH1A1 2217/4885LMNA 1795/4885HTT 1265/4885
US-20100056477-A1 FUNGICIDAL MIXTURES OF AMIDINYLPHENYL COMPOUNDS NIT2, MLN, ACR ALDH1A1 3823/4885LMNA 2519/4885HTT 526/4885
US-20080108686-A1 N-(Ortho-Phenyl)-1-Methyl-3-Difluoromethylpyrazole-4-Carboxanilides And Their Use As Fungicides CBR3, DDT, CBR1 ALDH1A1 1090/4885LMNA 3047/4885HTT 3002/4885
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides MRPL21, CBR3, CBR1 ALDH1A1 264/4885LMNA 4600/4885HTT 4517/4885
US-20100035753-A1 Fungicidal Mixtures Comprising Substituted 1-methylpyrazol-4-ylcarboxanilides CBR3, CBR1, HCN2 ALDH1A1 2931/4885LMNA 2198/4885HTT 1068/4885
US-20110105331-A1 Method of Plant Growth Promotion Using Amide Compounds MYB, GHITM, MKI67 ALDH1A1 3041/4885LMNA 4363/4885HTT 4633/4885

“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.