SCHEMBL6077069

SCHEMBL6077069

COc1ccc(CNC(=S)Nc2ccc3oc(=O)cc(C(F)(F)F)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 2/20 0.53
AR P10275 1/20 0.52
LMNA P02545 2/20 0.50
ALOX12 P18054 1/20 0.50
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
QPCT Q16769 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
SCHEMBL6077260 0.89 CA9 (0.61) ALDH1A1MAOBMAOAKMT2AMEN1
SCHEMBL6078541 0.82 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6078018 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6077972 0.81 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1MAPTAR
SCHEMBL6076717 0.81 CA9 (0.49) ALDH1A1KMT2AMEN1MAPTAR
SCHEMBL6077592 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6077812 0.80 MAP2K1 (0.47) ALDH1A1KMT2AMEN1MAPTAR
SCHEMBL6077073 0.79 AR (0.50) ALDH1A1ATMKMT2AMEN1MAPT
SCHEMBL6079512 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6078482 0.78 MAPT (0.52) ALDH1A1KMT2AMEN1MAPTAR

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 7 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
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 ALDH1A1 4212/4885MAOB 2522/4885MAOA 2881/4885

“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.