SCHEMBL406185

SCHEMBL406185

CC(C)c1nn(C)c(Cl)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 1/20 0.35
MEN1 O00255 3/20 0.34
PDE5A O76074 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL405756 0.85 L3MBTL1 (0.37) L3MBTL1ALDH1A1KMT2ALMNARECQL
SCHEMBL407056 0.85 L3MBTL1 (0.37) L3MBTL1ALDH1A1KMT2ALMNARECQL
SCHEMBL437373 0.84 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL20551696 0.78 ALDH1A1 (0.33) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL27862372 0.78 ALDH1A1 (0.33) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL406206 0.78 ALDH1A1 (0.33) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8306711 0.76 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL11487909 0.75 KDM4E (0.36) ALDH1A1KMT2AKDM4EMAPTCYP1A2
SCHEMBL30984209 0.75 L3MBTL1 (0.44) L3MBTL1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL1335837 0.75 L3MBTL1 (0.60) L3MBTL1ALDH1A1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-9398767-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-26 US disclosed
US-9320276-B2 N-hetarylmethyl pyrazolylcarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-26 US disclosed
US-9232799-B2 N-[(het)arylethyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9206137-B2 N-Aryl pyrazole(thio)carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9084424-B2 N-benzyl heterocyclic carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 US disclosed
US-8999956-B2 N-[(het)arylalkyl)] pyrazole(thio)carboxamides and their heterosubstituted analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 US disclosed
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-12 US disclosed
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130217727-A1 1-(HETEROCYCLIC CARBONYL)-2-SUBSTITUTED PYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-22 US disclosed
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130131119-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 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 (9 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-20130217727-A1 1-(HETEROCYCLIC CARBONYL)-2-SUBSTITUTED PYRROLIDINES CBR3, CBR1, HPD L3MBTL1 3627/4885ALDH1A1 1028/4885KMT2A 2419/4885
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES CYP51A1, HDHD5, CYP4Z1 L3MBTL1 4601/4885ALDH1A1 3162/4885KMT2A 1402/4885
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885ALDH1A1 4202/4885KMT2A 1882/4885
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES CBR3, AADAC, BROX L3MBTL1 3301/4885ALDH1A1 4040/4885KMT2A 506/4885
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES NAT1, NOD1, CBR3 L3MBTL1 3242/4885ALDH1A1 3452/4885KMT2A 1332/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885ALDH1A1 4202/4885KMT2A 1882/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 L3MBTL1 1962/4885ALDH1A1 4241/4885KMT2A 1498/4885
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 L3MBTL1 3681/4885ALDH1A1 2812/4885KMT2A 1305/4885
US-20130131119-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES NOD1, CYP51A1, CYP8B1 L3MBTL1 3796/4885ALDH1A1 3251/4885KMT2A 907/4885

“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.