SCHEMBL4282014

SCHEMBL4282014

COc1ccc(Cl)cc1-c1nc(O)cc(O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.54
AGPAT2 O15120 8/20 0.53
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
ERN1 O75460 1/20 0.47
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
STAT3 P40763 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.44
PRNP P04156 1/20 0.44
PPARG P37231 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL3918603 0.86 MEN1 (0.49) RECQLALDH1A1KDM4EAGPAT2HPGD
SCHEMBL3908845 0.84 RECQL (0.49) RECQLALDH1A1KDM4EAGPAT2HPGD
SCHEMBL4279053 0.83 RECQL (0.60) RECQLALDH1A1KDM4EAGPAT2HPGD
SCHEMBL9566471 0.80 RECQL (0.78) RECQLALDH1A1KDM4EAGPAT2SMN1; SMN2
SCHEMBL7699644 0.78 ALDH1A1 (0.56) RECQLALDH1A1KDM4EAGPAT2HPGD
SCHEMBL10645528 0.77 ADORA3 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4281666 0.76 AGPAT2 (0.67) RECQLALDH1A1KDM4EAGPAT2SMN1; SMN2
SCHEMBL12127343 0.75 ALDH1A1 (0.50) RECQLALDH1A1KDM4EAGPAT2HPGD
SCHEMBL8344303 0.75 HTR2B (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL16424643 0.75 RECQL (0.37) RECQLALDH1A1KDM4EAGPAT2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 US 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 (2 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT RECQL 1820/4885ALDH1A1 1326/4885KDM4E 1842/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT RECQL 2213/4885ALDH1A1 1116/4885KDM4E 2160/4885

“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.