SCHEMBL4475697

SCHEMBL4475697

CC(=O)Nc1ccc(C(=O)C(Br)Br)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP19A1 P11511 1/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
BRD4 O60885 2/20 0.52
KDM4E B2RXH2 3/20 0.52
PPIA P62937 1/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
C5AR1 P21730 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4481551 0.86 MEN1 (0.67) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL4472624 0.84 MEN1 (0.59) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL3363681 0.78 SGMS2 (0.57) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL29954243 0.77 CYP19A1 (0.60) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL5103066 0.75 MEN1 (0.60) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL2750411 0.75 SMN1; SMN2 (0.75) MEN1KMT2AKDM4ERAB9AALDH1A1
SCHEMBL8322247 0.74 CYP19A1 (0.56) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL9972742 0.73 TDP1 (0.51) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL6428728 0.73 CTSV (0.58) MEN1KMT2AKDM4ETDP1RAB9A
SCHEMBL11138139 0.73 MEN1 (0.62) MEN1KMT2ACYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 US disclosed
US-20060148817-A1 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2006-07-06 US disclosed
EP-1572664-A1 PYRAZOLE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2005-09-14 EP disclosed
WO-2004056782-A1 PYRAZOLE COMPOUNDS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-07-08 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-20060148817-A1 Pyrazole compounds NRAS, HSP90AB1, HSP90AA1 MEN1 3846/4885KMT2A 3305/4885CYP19A1 787/4885

“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.