SCHEMBL406206

SCHEMBL406206

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MIF P14174 2/20 0.33
MEN1 O00255 1/20 0.33
PDE5A O76074 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL405777 0.85 MIF (0.33) ALDH1A1MIFMEN1PDE5ACYP1A2
SCHEMBL437422 0.85 PTGER4 (0.37) MEN1KMT2APTGER4
Hydrochloric Acid SCHEMBL28753862 0.84 PTGER4 (0.37) MEN1KMT2APTGER4
SCHEMBL406709 0.84 MIF (0.33) ALDH1A1MIFMEN1PDE5ACYP1A2
SCHEMBL20551696 0.78 ALDH1A1 (0.33) ALDH1A1MIFMEN1PDE5ACYP1A2
SCHEMBL27862372 0.78 ALDH1A1 (0.33) ALDH1A1MIFMEN1PDE5ACYP1A2
SCHEMBL406185 0.78 L3MBTL1 (0.41) ALDH1A1MIFMEN1PDE5ACYP1A2
SCHEMBL17709534 0.76 KDM4E (0.32)
SCHEMBL11487909 0.75 KDM4E (0.36) ALDH1A1MIFMEN1PDE5ACYP1A2
SCHEMBL2721935 0.75 KDM4E (0.44) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19

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 ALDH1A1 1028/4885MIF 2730/4885MEN1 2640/4885
US-20130225606-A1 N-HETARYLMETHYL PYRAZOLYLCARBOXAMIDES CYP51A1, HDHD5, CYP4Z1 ALDH1A1 3162/4885MIF 3706/4885MEN1 3114/4885
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 ALDH1A1 4202/4885MIF 4262/4885MEN1 2227/4885
US-20130210864-A1 N-BENZYL HETEROCYCLIC CARBOXAMIDES CBR3, AADAC, BROX ALDH1A1 4040/4885MIF 4395/4885MEN1 2299/4885
US-20130237500-A1 N-ARYL PYRAZOLE(THIO)CARBOXAMIDES NAT1, NOD1, CBR3 ALDH1A1 3452/4885MIF 3999/4885MEN1 3694/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 ALDH1A1 4202/4885MIF 4262/4885MEN1 2227/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 ALDH1A1 4241/4885MIF 4038/4885MEN1 1717/4885
US-20130079302-A1 N-[(HET)ARYLALKYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES HDHD5, CYP51A1, NOD1 ALDH1A1 2812/4885MIF 4224/4885MEN1 4386/4885
US-20130131119-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES NOD1, CYP51A1, CYP8B1 ALDH1A1 3251/4885MIF 4067/4885MEN1 3739/4885

“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.