SCHEMBL16471305

SCHEMBL16471305

N#Cc1ccc(N=CC=S)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.44
▸ IDO1 P14902 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AR P10275 9/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ EGLN2 Q96KS0 1/20 0.33
▸ SLC22A12 Q96S37 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ S1PR3 Q99500 1/20 0.31

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
SCHEMBL16471295 0.77 KMT2A (0.30) KMT2A
SCHEMBL16471341 0.77 KMT2A (0.36) KMT2A
SCHEMBL16478056 0.77 TRPV4 (0.52) TRPV4IDO1ARCYP11B2SLC22A12
SCHEMBL12960442 0.76 AR (0.45) AR
SCHEMBL16471349 0.76 — —
SCHEMBL7831167 0.74 TRPV4 (0.48) TRPV4IDO1ARCYP11B2SLC22A12
SCHEMBL16471319 0.74 KMT2A (0.41) KMT2A
SCHEMBL30872749 0.74 TRPV4 (0.48) TRPV4IDO1ARCYP11B2SLC22A12
SCHEMBL16471313 0.71 EPAS1 (0.33) SLC22A12
SCHEMBL9859393 0.70 MAPK1 (0.63) TRPV4IDO1ARCYP11B2SLC22A12

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-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 — — 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-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TRPV4 4682/4885IDO1 571/4885KMT2A 4470/4885

“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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