SCHEMBL5653715

SCHEMBL5653715

COc1c(O)c([N+](=O)[O-])cc(O)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.51
TPMT P51580 1/20 0.49
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
TTR P02766 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5649150 0.81 KDM4E (0.49) GPR35TPMTALDH1A1CYP3A4KDM4E
SCHEMBL17744266 0.81 GPR35 (0.50) GPR35TPMTALDH1A1CYP3A4TTR
SCHEMBL6815361 0.80 GPR35 (0.56) GPR35TPMTALDH1A1CYP3A4KDM4E
SCHEMBL34473998 0.78 TDP1 (0.47) GPR35TPMTALDH1A1CYP3A4MEN1
SCHEMBL2908769 0.76 PKM (0.51) GPR35TPMTALDH1A1CYP3A4TTR
SCHEMBL17744647 0.75 GPR35 (0.49) GPR35TPMTALDH1A1CYP3A4KDM4E
SCHEMBL34473595 0.75 TDP1 (0.47) GPR35TPMTALDH1A1CYP3A4MEN1
SCHEMBL7697890 0.75 GPR35 (0.47) GPR35TPMTALDH1A1TTRMAPT
SCHEMBL9005399 0.74 TPMT (0.49) GPR35TPMTALDH1A1CYP3A4KDM4E
SCHEMBL17744395 0.74 GPR35 (0.46) GPR35TPMTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 GPR35 903/4885TPMT 3339/4885ALDH1A1 530/4885

“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.