SCHEMBL3766948

SCHEMBL3766948

CC(C)SCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL5186243 0.85 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C19HPGDPOLB
SCHEMBL14719083 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL2397527 0.80 ALDH1A1 (0.58) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL3503446 0.80 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL6856779 0.80 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL31481622 0.80 ALDH1A1 (0.62) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL28409396 0.78 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2HPGDMEN1
SCHEMBL1349897 0.77 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL6568661 0.77 ALDH1A1 (0.58) ALDH1A1TSHRCYP2C19CYP1A2HPGD
SCHEMBL3503445 0.77 ALDH1A1 (0.58) ALDH1A1TSHRCYP2C19CYP1A2HPGD

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 8 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
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 ALDH1A1 1944/4885TSHR 464/4885CYP2C19 1971/4885

“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.