SCHEMBL1928081

SCHEMBL1928081

CC(=O)N(c1ccccc1)c1ccc(-c2csc(C(N(C)C(=O)O)C(C)(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 5/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP13 P45452 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
PTPRB P23467 2/20 0.36

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
SCHEMBL1929877 0.83 MAPT (0.42) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL1927268 0.77 CNR2 (0.48) MAPTRAB9ANPC1PTPRBGAA
SCHEMBL27554474 0.74 MEN1 (0.45) MEN1KMT2AL3MBTL1MAPTRAB9A
Acetic Acid SCHEMBL5442939 0.74 CNR2 (0.35) MEN1KMT2AL3MBTL1MAPTROCK2
SCHEMBL2345249 0.73 MEN1 (0.48) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL1926298 0.73 GAA (0.38) MEN1KMT2AMAPTMAPK1HSD17B10
SCHEMBL1928084 0.70 PAX8 (0.41) MEN1KMT2AL3MBTL1MAPTRAB9A
SCHEMBL5472239 0.70 RARB (0.41) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2342743 0.70 MAPT (0.45) MEN1KMT2AL3MBTL1MAPTRAB9A
Hydrochloric Acid SCHEMBL1927229 0.69 MAPT (0.44) MEN1KMT2AL3MBTL1MAPTRAB9A

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
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
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 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 (3 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT MEN1 2860/4885KMT2A 4007/4885L3MBTL1 2346/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA MEN1 3085/4885KMT2A 3430/4885L3MBTL1 2344/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 MEN1 4280/4885KMT2A 3849/4885L3MBTL1 3632/4885

“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.