SCHEMBL4472624

SCHEMBL4472624

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
PPIA P62937 1/20 0.54
BRD4 O60885 2/20 0.53
KDM4E B2RXH2 3/20 0.53
TNF P01375 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 1/20 0.49
RAB9A P51151 2/20 0.48
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 0.47
C5AR1 P21730 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
SCHEMBL4481551 0.87 MEN1 (0.67) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL4475697 0.84 MEN1 (0.58) MEN1KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL10757306 0.80 TDP1 (0.55) KMT2ATDP1MAPTALDH1A1SMN1; SMN2
SCHEMBL4473413 0.80 MAOB (0.61) MEN1KMT2AMAOBRAB9ASMN1; SMN2
SCHEMBL30530496 0.80 HDAC8 (0.55) KDM4EMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL21436790 0.80 MAOB (0.50) MEN1KMT2AKDM4ETDP1MAOB
SCHEMBL21436932 0.80 HDAC8 (0.55) KDM4EMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL1106974 0.79 PTGES (0.51) MAOBLMNA
SCHEMBL31605214 0.79 PTGES (0.51) MAOBLMNA
SCHEMBL21240642 0.79 MAOB (0.56) MEN1KMT2AKDM4EMAOBRAB9A

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-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
CN-1738804-A Pyrazole compounds VERNALIS CAMBRIDGE LTD (GB) 2006-02-22 CN 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.