SCHEMBL2508423

SCHEMBL2508423

CCCNC(=O)C(C)(C)COc1c(CC)ccc2nc(C)c(C(=O)O)c(N)c12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DHFR P00374 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL2508408 0.88 NUDT1 (0.33) MEN1KMT2A
SCHEMBL2511856 0.87 CHRM4 (0.35) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL2513257 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL2512534 0.85 KMT2A (0.36) MEN1KMT2ADHFRKDM4EALDH1A1
SCHEMBL2517533 0.84 MEN1 (0.33) MEN1KMT2AHTR1ADRD2DRD4
SCHEMBL2516707 0.84 KMT2A (0.35) MEN1KMT2ADHFRMETAP2KDM4E
SCHEMBL621517 0.84 MEN1 (0.38) MEN1KMT2AHTR1ADRD2DRD4
SCHEMBL2511940 0.84 SSTR4 (0.41) —
SCHEMBL2515168 0.83 SSTR4 (0.40) —
SCHEMBL2514146 0.83 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 MEN1 784/4885KMT2A 1673/4885DHFR 2674/4885

“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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