SCHEMBL5272249

SCHEMBL5272249

Cc1[nH]nc(-c2cc(Cl)ccc2O)c1C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
ALOX12 P18054 3/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 3/20 0.39
GPR55 Q9Y2T6 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
GYS1 P13807 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5266777 0.91 HSP90AA1 (0.33) MEN1KMT2AMAPTALOX12GAA
SCHEMBL5271929 0.90 HSP90AA1 (0.47) MEN1KMT2AMAPTALOX12GAA
SCHEMBL5273258 0.89 HSP90AA1 (0.34) MEN1KMT2AMAPTALOX12GAA
SCHEMBL5267152 0.85 HSP90AA1 (0.38) MEN1KMT2AMAPTALOX12GAA
SCHEMBL5269354 0.84 HSP90AA1 (0.48) MEN1KMT2AMAPTALOX12GAA
SCHEMBL5274678 0.81 HSP90AA1 (0.33) MEN1KMT2AHSP90AA1
SCHEMBL5273461 0.75 MET (0.35) HTTMET
SCHEMBL5270758 0.75 MEN1 (0.32) MEN1KMT2AMAPTMAPK1GPR55
SCHEMBL5267956 0.75 LRRK2 (0.41)
SCHEMBL5268022 0.74 CHEK1 (0.31)

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
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-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 MEN1 4797/4885KMT2A 4362/4885MAPT 4683/4885

“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.