SCHEMBL2509435

SCHEMBL2509435

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCCCOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 8/20 0.41
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IKBKB O14920 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
SCHEMBL2511949 0.87 TP53 (0.41) TP53HSD17B10MEN1KMT2A
SCHEMBL2511075 0.82 MEN1 (0.39) DHFRTP53HSD17B10TDP1ALDH1A1
SCHEMBL2517588 0.81 TARBP2 (0.36) DHFRTP53HSD17B10ALDH1A1HTT
SCHEMBL2512534 0.81 KMT2A (0.36) DHFRTP53HSD17B10ALDH1A1HTT
SCHEMBL621374 0.81 TP53 (0.43) TP53HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2514017 0.81 TP53 (0.37) DHFRTP53HSD17B10ALDH1A1HTT
SCHEMBL2516707 0.81 KMT2A (0.35) DHFRTP53HSD17B10ALDH1A1HTT
SCHEMBL2513020 0.79 TP53 (0.36) DHFRTP53HSD17B10ALDH1A1HTT
SCHEMBL2517605 0.79 NUDT1 (0.39) DHFRTP53HSD17B10ALDH1A1HTT
SCHEMBL2514616 0.78 MAP4K4 (0.36) TP53HSD17B10

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 DHFR 2674/4885TP53 2533/4885HSD17B10 1094/4885

“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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