SCHEMBL2513257

SCHEMBL2513257

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ CHRM4 P08173 5/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ FLT1 P17948 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MMP13 P45452 3/20 0.36
▸ MMP10 P09238 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL2513770 0.90 HTT (0.41) ALDH1A1CHRM4MMP13MMP10MMP8
SCHEMBL2511856 0.90 CHRM4 (0.35) ALDH1A1CHRM4MAPTMEN1KMT2A
SCHEMBL2508423 0.85 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL621085 0.85 ALDH1A1 (0.41) ALDH1A1CHRM4PPARAFLT1LRRK2
SCHEMBL2514021 0.84 MAPT (0.40) ALDH1A1MAPTKMT2ANPC1
SCHEMBL2508408 0.83 NUDT1 (0.33) MEN1KMT2A
SCHEMBL2510945 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2516707 0.79 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2A
SCHEMBL2511940 0.79 SSTR4 (0.41) —
SCHEMBL2514146 0.78 SSTR4 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 — — US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 — — 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ALDH1A1 664/4885CHRM4 481/4885PPARA 140/4885

“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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