SCHEMBL16495950

SCHEMBL16495950

COc1ccc(C(N)=O)c(C(=O)NO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 2/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MMP16 P51512 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
SCHEMBL7456188 0.87 MTNR1A (0.54) CA1CA2KDM4ENPC1RAB9A
SCHEMBL2835948 0.86 PARP1 (0.55) CA1CA2KDM4ENPC1RAB9A
SCHEMBL518479 0.80 CHEK1 (0.46) KDM4EHPGDALDH1A1MMP2MMP13
SCHEMBL1562332 0.79 NPC1 (0.68) CA1CA2NPC1RAB9AHPGD
SCHEMBL1436731 0.79 P2RX1 (0.57) CA1CA2KDM4ENPC1RAB9A
SCHEMBL3343162 0.79 PARP1 (0.52) CA1CA2KDM4ENPC1RAB9A
SCHEMBL7475524 0.78 CA1 (0.53) CA1CA2KDM4ENPC1RAB9A
SCHEMBL10557566 0.77 CA1 (0.59) CA1CA2KDM4ENPC1RAB9A
SCHEMBL3277227 0.77 ALDH1A1 (0.62) CA1CA2KDM4ENPC1RAB9A
SCHEMBL3341574 0.77 HPGD (0.52) CA1CA2KDM4ENPC1RAB9A

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 CA1 2924/4885CA2 502/4885KDM4E 1847/4885

“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.