SCHEMBL20206079

SCHEMBL20206079

Cc1cncc(C[C@@H](C)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.34
▸ CYP11B1 P15538 11/20 0.34
▸ CYP11B2 P19099 11/20 0.34
▸ TKT P29401 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NR3C1 P04150 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ CCR9 P51686 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
SCHEMBL14983862 0.75 CYP11B1 (0.39) CTSBCYP11B1CYP11B2TKTCYP3A4
SCHEMBL25574410 0.73 NOS1 (0.33) CTSB
SCHEMBL24261178 0.72 CYP11B1 (0.38) CTSBCYP11B1CYP11B2TKTCYP3A4
SCHEMBL23990848 0.70 CYP11B1 (0.38) CTSBCYP11B1CYP11B2TKTCYP3A4
SCHEMBL24261177 0.68 CYP11B1 (0.36) CTSBCYP11B1CYP11B2TKTCYP3A4
SCHEMBL23661902 0.68 CYP11B1 (0.44) CTSBCYP11B1CYP11B2CYP3A4
SCHEMBL21282958 0.68 CYP11B1 (0.38) CTSBCYP11B1CYP11B2TKTCYP3A4
SCHEMBL24900110 0.67 TBXAS1 (0.50) CTSBCYP11B1CYP11B2CYP3A4
SCHEMBL1630903 0.67 — —
SCHEMBL30390414 0.67 — —

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-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 — — 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-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 CTSB 1534/4885CYP11B1 1065/4885CYP11B2 1292/4885

“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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