SCHEMBL407072

SCHEMBL407072

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK8 P45983 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL440614 0.87 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16585900 0.85 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9379224 0.80 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL29956148 0.79
SCHEMBL29950783 0.78
SCHEMBL405815 0.77
SCHEMBL18770490 0.77 ALB (0.32) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29955890 0.77
SCHEMBL29955506 0.77
SCHEMBL15331145 0.76 HTR2C (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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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-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
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
US-4226877-A ANTIPSYCHOTIC AGENTS, SCHIZOPHRENIA ABBOTT LABORATORIES (US) 1980-10-07 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 3627/4885SMN1; SMN2 3820/4885CYP1A2 28/4885
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES CYP51A1, HDHD5, CYP4Z1 L3MBTL1 4601/4885SMN1; SMN2 4783/4885CYP1A2 6/4885
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES CBR3, AADAC, BROX L3MBTL1 3301/4885SMN1; SMN2 4176/4885CYP1A2 115/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R L3MBTL1 3563/4885SMN1; SMN2 4515/4885CYP1A2 137/4885
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES NAT1, NOD1, CBR3 L3MBTL1 3242/4885SMN1; SMN2 4489/4885CYP1A2 43/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885SMN1; SMN2 3370/4885CYP1A2 48/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 L3MBTL1 1962/4885SMN1; SMN2 2966/4885CYP1A2 57/4885
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 L3MBTL1 3681/4885SMN1; SMN2 4675/4885CYP1A2 12/4885
US-20130131119-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES NOD1, CYP51A1, CYP8B1 L3MBTL1 3796/4885SMN1; SMN2 4494/4885CYP1A2 10/4885

“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.