SCHEMBL3764560

SCHEMBL3764560

Cn1cc(C(=O)Nc2ccccc2CO)c(C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
ATM Q13315 1/20 0.48
STING1 Q86WV6 1/20 0.45
GAA P10253 1/20 0.44
IRAK4 Q9NWZ3 6/20 0.43
NTRK1 P04629 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
NR3C1 P04150 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL15682598 0.86 POLB (0.42) LMNAPOLBIRAK4TRPV1SMN1; SMN2
SCHEMBL1259947 0.85 LMNA (0.53) LMNAPOLBATMSTING1GAA
SCHEMBL12393702 0.85 LMNA (0.60) LMNAPOLBATMSTING1GAA
SCHEMBL5357036 0.85 LMNA (0.60) LMNAPOLBATMSTING1GAA
SCHEMBL27737488 0.85 POLB (0.55) LMNAPOLBATMSTING1GAA
SCHEMBL1085471 0.84 LMNA (0.57) LMNAPOLBATMIRAK4NTRK1
SCHEMBL9262427 0.84 LMNA (0.57) LMNAPOLBATMSTING1GAA
SCHEMBL3765591 0.84 LMNA (0.55) LMNAPOLBATMSTING1GAA
SCHEMBL971566 0.84 POLB (0.66) LMNAPOLBATMSTING1GAA
SCHEMBL973052 0.84 ATM (0.69) LMNAPOLBATMSTING1GAA

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
EP-1771069-B1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS BAYER CROPSCIENCE AG (DE) 2014-05-07 EP disclosed
EP-1771069-B1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS BAYER CROPSCIENCE AG (DE) 2014-05-07 EP disclosed
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
US-7842710-B2 Carboxamides BAYER CROPSCIENCE AG (DE) 2010-11-30 US disclosed
CN-1917763-B N- (2-hydroxymethyl) phenyl-1H-pyrazole-4-carboxamide derivatives and related compounds as microbicidal active ingredients for plant protection and material protection BAYER CROPSCIENCE AG 2010-05-05 CN disclosed
US-20080058389-A1 Carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058389-A1 Carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
EP-1771069-A1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS Bayer CropScience Aktiengesellschaft (DE) 2007-04-11 EP disclosed
CN-1917763-A N- (2-hydroxymethyl) phenyl-1H-pyrazole-4-carboxamide derivatives and related compounds as microbicidal active ingredients for plant protection and material protection BAYER CROPSCIENCE AG (DE) 2007-02-21 CN disclosed
WO-2005074686-A1 N-(2-(HYDROXYMETHYL) PHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MICROBICIDAL ACTIVE INGREDIENTS FOR PHYTO-PROTECTION AND THE PROTECTION OF MATERIALS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-08-18 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 (1 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-20080058389-A1 Carboxamides CBR3, CBR1, H1-10 LMNA 3877/4885POLB 4259/4885ATM 3443/4885

“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.