SCHEMBL6077972

SCHEMBL6077972

O=c1cc(C(F)(F)F)c2cc(NC(=S)NCc3ccc4c(c3)OCO4)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 11/20 0.56
ALOX12 P18054 3/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
GAA P10253 2/20 0.54
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.52
AQP1 P29972 1/20 0.52
AR P10275 1/20 0.51
QPCT Q16769 1/20 0.50
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL6077069 0.81 ALDH1A1 (0.55) ALDH1A1ALOX12GAAMAPTMEN1
SCHEMBL6079512 0.77 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1ALOX12GAAMAPT
SCHEMBL6077812 0.76 MAP2K1 (0.47) SMN1; SMN2ALDH1A1ALOX12GAAMAPT
SCHEMBL6078482 0.76 MAPT (0.52) SMN1; SMN2ALDH1A1ALOX12GAAMAPT
SCHEMBL6096023 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ALOX12NPY1RNPY2R
SCHEMBL6077590 0.76 KDM4E (0.51) SMN1; SMN2ALDH1A1ALOX12GAAMAPT
SCHEMBL2347951 0.75 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1ALOX12NPY1RNPY2R
SCHEMBL6076379 0.74 MAP2K1 (0.53) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6078589 0.74 MAP2K1 (0.53) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL6077742 0.74 MAP2K1 (0.53) ALDH1A1GAAMAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US claimed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP claimed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO claimed
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 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 (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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX SMN1; SMN2 3951/4885ALDH1A1 4212/4885ALOX12 3990/4885

“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.