SCHEMBL4483528

SCHEMBL4483528

O=C(CBr)c1cc(Br)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
FOLH1 Q04609 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SGMS2 Q8NHU3 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAOB P27338 1/20 0.43
PTGES O14684 1/20 0.42

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
SCHEMBL383569 0.88 FOLH1 (0.60) ABCB1FOLH1L3MBTL1TDP1SMN1; SMN2
SCHEMBL4472145 0.84 MRGPRX4 (0.49) FOLH1L3MBTL1SMN1; SMN2RAB9AKDM4E
SCHEMBL644309 0.84 ABCB1 (0.49) ABCB1FOLH1L3MBTL1TDP1SMN1; SMN2
SCHEMBL2946703 0.84 MAOB (0.57) ABCB1FOLH1L3MBTL1TDP1SMN1; SMN2
SCHEMBL382869 0.83 ALDH1A1 (0.53) ABCB1FOLH1L3MBTL1TDP1SMN1; SMN2
SCHEMBL1106974 0.83 PTGES (0.51) FOLH1MAOBPTGES
SCHEMBL21437076 0.83 MCL1 (0.50) FOLH1L3MBTL1TDP1SMN1; SMN2RAB9A
SCHEMBL31605214 0.83 PTGES (0.51) FOLH1MAOBPTGES
SCHEMBL31363007 0.83 ALDH1A1 (0.53) ABCB1FOLH1L3MBTL1TDP1SMN1; SMN2
SCHEMBL646463 0.82 ABCB1 (0.53) ABCB1FOLH1L3MBTL1TDP1SMN1; SMN2

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 6 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-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 US disclosed
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 ABCB1 221/4885FOLH1 4613/4885L3MBTL1 3646/4885

“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.