SCHEMBL19449093

SCHEMBL19449093

C=COc1ccc2ccccc2c1-c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.43
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP19A1 P11511 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP1A2 P05177 6/20 0.40
▸ CYP1A1 P04798 4/20 0.40
▸ CYP1B1 Q16678 4/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19435511 0.81 MAPT (0.62) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL3111062 0.80 MAPT (0.57) MAPTALDH1A1KDM4EKMT2ANPC1
SCHEMBL17899915 0.80 GPR84 (0.43) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL17899838 0.80 GPR84 (0.43) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL23111255 0.78 GPR84 (0.41) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL17899914 0.77 CCNC (0.43) CYP11B1MAPTKDM4EKMT2ANPC1
SCHEMBL19435473 0.73 CYP3A4 (0.63) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL23989160 0.73 CYP11B1 (0.50) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL17899836 0.72 SLC22A12 (0.55) CYP11B1MAPTALDH1A1KDM4EKMT2A
SCHEMBL2812920 0.72 CYP11B1 (0.66) CYP11B1MAPTALDH1A1KDM4EKMT2A

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-20170290795-A1 URAT1 INHIBITOR J-PHARMA CO., LTD. (JP) 2017-10-12 — — 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-20170290795-A1 URAT1 INHIBITOR SLC10A1, XDH, URB2 CYP11B1 785/4885MAPT 114/4885ALDH1A1 673/4885

“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.

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