SCHEMBL1928296

SCHEMBL1928296

CC(C)(C)c1cc(-c2csc(CN(Cc3ccccc3)C(=O)O)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.64
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 5/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
GAA P10253 3/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
GSTO1 P78417 1/20 0.39
CPB1 P15086 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL1927755 0.88 CNR2 (0.68) CNR2CNR1GAAMAPTKDM4E
SCHEMBL1928375 0.87 CNR2 (0.70) CNR2MEN1KMT2AL3MBTL1CNR1
SCHEMBL1928240 0.83 CNR2 (0.75) CNR2L3MBTL1CNR1GAAMAPT
SCHEMBL4930617 0.79 CNR2 (0.65) CNR2MEN1KMT2AL3MBTL1CNR1
SCHEMBL1928590 0.79 CNR2 (0.53) CNR2MEN1KMT2AGAAROCK2
SCHEMBL1929650 0.79 CNR2 (0.58) CNR2MEN1KMT2ACNR1GAA
SCHEMBL2348536 0.79 CNR2 (1.00) CNR2CNR1GAAALDH1A1
SCHEMBL1929000 0.78 CNR2 (0.75) CNR2L3MBTL1CNR1GAAMAPT
SCHEMBL1929180 0.78 GAA (0.39) CNR2MEN1KMT2AGAAPKM
SCHEMBL4934476 0.78 CNR2 (0.60) CNR2L3MBTL1CNR1GAAMAPT

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-20040132788-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.) (FR) 2004-07-08 US 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-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 CNR2 339/4885MEN1 2860/4885KMT2A 4007/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CNR2 15/4885MEN1 4271/4885KMT2A 2676/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 CNR2 27/4885MEN1 4280/4885KMT2A 3849/4885

“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.