SCHEMBL5267577

SCHEMBL5267577

COc1ccc(CC(=O)c2cc(Cl)c(O)c(C)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ATM Q13315 1/20 0.56
HSP90AA1 P07900 2/20 0.53
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
ALOX5 P09917 2/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
ACLY P53396 1/20 0.43

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
SCHEMBL485122 0.81 HSP90AA1 (0.71) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5268587 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL4779632 0.79 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1849729 0.76 RAB9A (0.62) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1847760 0.76 USP2 (0.70) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1848693 0.74 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1346046 0.74 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL224762 0.74 NPC1 (0.88) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL4748426 0.73 USP2 (0.62) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29586231 0.73 HSP90AA1 (0.64) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 EP disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 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-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 4757/4885MEN1 4797/4885KMT2A 4362/4885

“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.