Sugi Predict

Sugi Predict / Compounds / SCHEMBL1927432

SCHEMBL1927432

SCHEMBL1927432

CC(C)(C)[C@](CCCCNC(=O)O)(NCc1ccccc1)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.35
▸ ADORA2A P29274 4/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ TACR3 P29371 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ASAH1 Q13510 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL1929441 0.79 ADORA1 (0.38) ADORA2AADORA1MAPTALDH1A1GAA
SCHEMBL1928371 0.79 ADORA1 (0.37) ADORA1TACR3MAPTGAA
SCHEMBL1928638 0.78 ADORA1 (0.39) ADORA2AADORA1MAPTALDH1A1
SCHEMBL1929229 0.76 ADORA1 (0.36) ADORA2AADORA1TACR3MEN1MAPT
SCHEMBL1926424 0.73 XDH (0.38) HPGDSADORA2AADORA1TACR3HDAC4
SCHEMBL1927825 0.71 ADORA3 (0.35) ADORA1ALDH1A1
SCHEMBL5442720 0.70 SMPD1 (0.35) ADORA2AADORA1ALDH1A1
SCHEMBL1928645 0.70 PPARG (0.36) POLBMEN1MAPTKMT2AHDAC3
SCHEMBL2345715 0.69 TLR2 (0.41) HPGDSTACR3BCHEACHEMEN1
SCHEMBL2345710 0.69 TLR2 (0.41) HPGDSTACR3BCHEACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 — — US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 — — US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 — — 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 (2 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-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA HPGDS 89/4885ADORA2A 145/4885ADORA1 819/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 HPGDS 633/4885ADORA2A 1822/4885ADORA1 528/4885

“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.