SCHEMBL3765591

SCHEMBL3765591

CC(C)OCc1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
NTRK1 P04629 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
STING1 Q86WV6 1/20 0.41
DHODH Q02127 6/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3764560 0.84 LMNA (0.58) LMNAPOLBNTRK1ATMGAA
SCHEMBL1259947 0.84 LMNA (0.53) LMNAPOLBNTRK1ATMGAA
SCHEMBL7790957 0.81 POLB (0.50) LMNAPOLBNTRK1ATMGAA
SCHEMBL9262427 0.81 LMNA (0.57) LMNAPOLBNTRK1ATMGAA
SCHEMBL13057290 0.81 LMNA (0.55) LMNAPOLBNTRK1ATMGAA
SCHEMBL7790947 0.80 LMNA (0.53) LMNAPOLBNTRK1ATMGAA
SCHEMBL7790945 0.80 LMNA (0.53) LMNAPOLBNTRK1ATMGAA
SCHEMBL5357036 0.79 LMNA (0.60) LMNAPOLBNTRK1ATMGAA
SCHEMBL12393702 0.79 LMNA (0.60) LMNAPOLBNTRK1ATMGAA
SCHEMBL27737491 0.79 LMNA (0.53) LMNAPOLBNTRK1ATMGAA

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 9 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
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
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 4259/4885NTRK1 2875/4885

“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.