SCHEMBL1928084

SCHEMBL1928084

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
GSTO1 P78417 1/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 3/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
OXTR P30559 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL2345249 0.86 MEN1 (0.48) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL1929878 0.83 RAB9A (0.47) PAX8GSTO1L3MBTL1MEN1KMT2A
SCHEMBL1927269 0.77 CNR2 (0.60) GSTO1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL2342743 0.76 MAPT (0.45) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL3652959 0.76 NPC1 (0.49) PAX8GSTO1L3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL1927229 0.76 MAPT (0.44) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL23554173 0.74 GSTO1 (0.55) GSTO1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL1930259 0.74 CNR2 (0.69) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL4315638 0.74 CNR2 (0.50) GSTO1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL1926300 0.73 CNR2 (0.49) L3MBTL1MEN1KMT2ARAB9ANPC1

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 PAX8 1583/4885GSTO1 2236/4885L3MBTL1 2346/4885
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA PAX8 1492/4885GSTO1 2011/4885L3MBTL1 2344/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 PAX8 1503/4885GSTO1 923/4885L3MBTL1 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.