SCHEMBL16495997

SCHEMBL16495997

NC(=O)c1ccc(OCC(F)(F)F)cc1C(=O)NO

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 5/20 0.54
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 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
SCHEMBL5485870 0.83 KDM4E (1.00) KDM4ECYP1A2CYP2C9ALDH1A1POLB
SCHEMBL518479 0.81 CHEK1 (0.46) KDM4EALDH1A1POLBKMT2AHTT
SCHEMBL11786444 0.80 KDM4E (0.69) KDM4ECYP1A2CYP2C9ALDH1A1POLB
SCHEMBL16495950 0.76 CA1 (0.51) KDM4ECYP1A2CYP2C9ALDH1A1MAPK1
SCHEMBL15141378 0.76 KDM4E (0.47) KDM4EALDH1A1KMT2AHPGD
SCHEMBL11784892 0.74 KDM4E (0.79) KDM4ECYP1A2CYP2C9ALDH1A1POLB
SCHEMBL7456945 0.74 ALDH1A1 (0.53) KDM4ECYP1A2CYP2C9ALDH1A1
SCHEMBL21434679 0.73 MAPT (0.54) KDM4ECYP1A2CYP2C9ALDH1A1POLB
SCHEMBL27951612 0.72 HTT (0.47) KDM4ECYP1A2CYP2C9ALDH1A1POLB
SCHEMBL15147900 0.71 HDAC1 (0.42) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 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 (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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL KDM4E 1847/4885CYP1A2 885/4885CYP2C9 3217/4885

“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.