SCHEMBL6077798

SCHEMBL6077798

O=c1cc(C(F)(F)F)c2cc(NC(=S)NCCC3=CCCCC3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 4/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 11/20 0.52
MAPT P10636 5/20 0.52
ALOX12 P18054 4/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 4/20 0.52
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.42
MAP2K1 Q02750 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL6078097 0.82 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL6078482 0.81 MAPT (0.52) RAB9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL6077812 0.81 MAP2K1 (0.47) RAB9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL6077590 0.81 KDM4E (0.51) RAB9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL6078018 0.78 ALDH1A1 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL6077399 0.75 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2MEN1KMT2AHTT
SCHEMBL6076379 0.74 MAP2K1 (0.53) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6078589 0.74 MAP2K1 (0.53) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6077742 0.74 MAP2K1 (0.53) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6077972 0.73 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MEN1KMT2AHTT

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 RAB9A 3732/4885SMN1; SMN2 3951/4885MEN1 116/4885

“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.