SCHEMBL15970366

SCHEMBL15970366

NC(=O)C1=C(C(N)=O)C(Cc2ccncc2)Cc2ccc(O)cc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.56
CYP11B2 P19099 1/20 0.49
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP26A1 O43174 3/20 0.36
TNF P01375 1/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL15969586 0.92 CYP19A1 (0.67) CYP19A1CYP11B2CYP26A1PDE4D
SCHEMBL15969573 0.86 CYP19A1 (0.42) CYP19A1CYP11B2ESR1ESR2CYP26A1
SCHEMBL15969572 0.78 CYP19A1 (0.49) CYP19A1ESR1ESR2CYP26A1
SCHEMBL15969815 0.76 MTNR1A (0.39) CYP19A1ESR1ESR2
SCHEMBL8272615 0.67 CYP19A1 (1.00) CYP19A1CYP11B2CYP26A1
SCHEMBL8466193 0.66 CYP19A1 (0.60) CYP19A1CYP26A1
SCHEMBL8462840 0.64 CYP19A1 (0.60) CYP19A1CYP11B2CYP26A1
SCHEMBL3314894 0.63 CYP19A1 (1.00) CYP19A1PDE4D
SCHEMBL6378133 0.62 CYP19A1 (0.81) CYP19A1PDE4D
SCHEMBL8243133 0.61 CYP19A1 (0.66) CYP19A1PDE4D

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CYP19A1 739/4885CYP11B2 848/4885ESR1 4088/4885

“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.