Sugi Predict

Sugi Predict / Compounds / SCHEMBL1928857

SCHEMBL1928857

SCHEMBL1928857

CC(C)CCC[C@H](c1nc(-c2cccc(Br)c2)c[nH]1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SHMT1 P34896 2/20 0.33
▸ SHMT2 P34897 2/20 0.33
▸ PTGES O14684 1/20 0.33
▸ AURKA O14965 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
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ PPARG P37231 4/20 0.31
▸ PPARA Q07869 4/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL5452679 1.00 TP53 (0.34) TP53RXFP1SHMT1SHMT2PTGES
SCHEMBL1928643 0.90 PKM (0.36) TP53RXFP1PTGESHDAC3HDAC4
SCHEMBL1928635 0.81 TACR3 (0.36) ALDH1A1ADORA1
SCHEMBL1929440 0.80 TACR3 (0.36) TP53MAPTADORA1
SCHEMBL1928368 0.79 TACR3 (0.38) ADORA1
SCHEMBL1927415 0.78 CNR2 (0.35) MEN1KMT2AALDH1A1MAPTACR
SCHEMBL1929225 0.78 TACR3 (0.34) PPARGPPARAALDH1A1GAAACR
SCHEMBL2343276 0.78 SHMT1 (0.39) TP53SHMT1SHMT2PTGESAURKA
SCHEMBL2362176 0.78 SHMT1 (0.39) TP53SHMT1SHMT2PTGESAURKA
SCHEMBL1928432 0.77 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305294-B1 IMIDAZOLYL DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2007-04-25 — — EP claimed
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 TP53 2753/4885RXFP1 3817/4885SHMT1 1967/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 TP53 3809/4885RXFP1 1150/4885SHMT1 2982/4885

“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.