SCHEMBL13475619

SCHEMBL13475619

C=C1CSc2ccccc2C1n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.51
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11557214 0.83 CYP19A1 (0.55) CYP19A1POLBALDH1A1GAAFNTA
SCHEMBL13475616 0.75 CYP19A1 (0.55) CYP19A1
SCHEMBL2818075 0.71 CYP19A1 (0.50) CYP19A1
SCHEMBL2824079 0.71 CYP19A1 (0.43) CYP19A1POLBFNTAFNTBPGGT1B
SCHEMBL2818060 0.71 CYP19A1 (0.43) CYP19A1POLBFNTAFNTBPGGT1B
SCHEMBL11561010 0.71 CYP19A1 (0.47) CYP19A1POLBALDH1A1GAAFNTA
SCHEMBL9633309 0.69 CYP19A1 (1.00) CYP19A1POLBGAAMAPT
SCHEMBL9634666 0.68 CYP19A1 (0.67) CYP19A1
SCHEMBL9367361 0.66 CYP19A1 (0.69) CYP19A1POLBMAPT
SCHEMBL10372914 0.66 CYP19A1 (0.50) CYP19A1POLBFNTAFNTBPGGT1B

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-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP19A1 11/4885POLB 552/4885ALDH1A1 289/4885

“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.