SCHEMBL14740713

SCHEMBL14740713

COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 8/20 0.73
▸ PARK7 Q99497 1/20 0.59
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ ALDH2 P05091 1/20 0.50
▸ ALDH3A1 P30838 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CASP3 P42574 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL29406370 0.84 PARK7 (0.76) CHRM5PARK7CA12CA1CA2
SCHEMBL578232 0.84 PARK7 (0.76) CHRM5PARK7CA12CA1CA2
SCHEMBL5659656 0.83 ACHE (0.66) CHRM5CA12CA1CA2CA9
SCHEMBL18955277 0.83 PARK7 (0.63) CHRM5PARK7CA12CA1CA2
SCHEMBL9904848 0.83 ALDH3A1 (0.72) CHRM5CA12CA1CA2CA9
SCHEMBL5659567 0.81 ALDH1A1 (0.71) CHRM5CA12CA1CA2CA9
SCHEMBL4609842 0.80 CES1 (0.66) CHRM5ALDH1A1ALDH2ALDH3A1TP53
SCHEMBL5429853 0.78 ALDH3A1 (0.54) CHRM5PARK7CA12CA1CA2
SCHEMBL18954802 0.78 CHRM5 (0.60) CHRM5CA12CA1CA2CA9
SCHEMBL5429061 0.77 CHRM5 (0.72) CHRM5PARK7CA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
EP-2750508-A1 THERAPEUTIC COMPOUNDS AND METHODS Wayne State University (US) 2014-07-09 — — EP disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO 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-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 CHRM5 4705/4885PARK7 1869/4885CA12 339/4885

“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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