SCHEMBL8269347

SCHEMBL8269347

CC(=O)C(N)CCCNC(=O)c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ TERT O14746 2/20 0.43
▸ PRMT1 Q99873 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ESRRG P62508 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL29300382 0.81 TERT (0.52) MCHR1HDAC3HDAC6NCOR2TERT
SCHEMBL16213688 0.81 ALDH1A1 (0.53) MCHR1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL8234410 0.80 HDAC3 (0.61) MCHR1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL29300416 0.80 NPC1 (0.51) MCHR1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL8269125 0.80 HDAC3 (0.53) MCHR1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL8122188 0.79 SMN1; SMN2 (0.63) MCHR1HDAC3HDAC6NCOR2ALDH1A1
Hydrochloric Acid SCHEMBL11545112 0.79 NAAA (0.57) HDAC3HDAC6NCOR2NPC1RAB9A
SCHEMBL20031964 0.79 HDAC3 (0.59) MCHR1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL8269305 0.78 MAPK1 (0.55) MCHR1HDAC3HDAC6NCOR2ALDH1A1
SCHEMBL29300418 0.78 TERT (0.49) MCHR1HDAC3HDAC6NCOR2TERT

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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 — — 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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 MCHR1 2386/4885HDAC3 3559/4885HDAC6 2054/4885

“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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