SCHEMBL6078086

SCHEMBL6078086

O=c1cc(C(F)(F)F)c2cc(NC(=S)NCC3CCCO3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
QPCT Q16769 1/20 0.53
AR P10275 5/20 0.53
HPGD P15428 4/20 0.52
GAA P10253 4/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL6077338 0.85 AR (0.56) AR
SCHEMBL6077399 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL6078339 0.76 AR (0.55) ALDH1A1ARMAPTKDM4E
SCHEMBL6078283 0.75 AR (0.62) ARGAAKDM4E
SCHEMBL6077818 0.75 AR (0.68) ALDH1A1AR
SCHEMBL6216856 0.75 AR (0.56) AR
SCHEMBL6078333 0.75 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1ARHPGDMAPT
SCHEMBL6078896 0.74 AR (0.57) ALDH1A1ARMAPT
SCHEMBL6076852 0.74 ALDH1A1 (0.57) ALDH1A1ARMAPT
SCHEMBL6078725 0.74 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA

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
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 US disclosed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX SMN1; SMN2 3951/4885ALDH1A1 4212/4885KMT2A 915/4885

“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.