SCHEMBL1926397

SCHEMBL1926397

CC(C)C(c1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 7/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 2/20 0.37
KMT2A Q03164 2/20 0.37
CYBB P04839 2/20 0.37
NOX3 Q9HBY0 2/20 0.37
NOX4 Q9NPH5 2/20 0.37
APP P05067 1/20 0.37
SNCA P37840 1/20 0.37
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MARK4 Q96L34 9/20 0.34
PTPRB P23467 1/20 0.33
NPC1 O15118 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
SCHEMBL4034451 0.87 NOX1 (0.41) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1927571 0.86 NOX1 (0.36) NOX1GAAMAPTMEN1ALOX15
Hydrochloric Acid SCHEMBL6129195 0.76 NOX1 (0.41) NOX1GAAMAPTMEN1ALOX15
SCHEMBL4934512 0.75 NOX1 (0.41) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1928027 0.75 NOX1 (0.44) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1926715 0.75 NOX1 (0.43) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1926935 0.74 NOX1 (0.43) NOX1GAAMAPTMEN1ALOX15
SCHEMBL4033771 0.74 GRM1 (0.46) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1929067 0.74 NOX1 (0.43) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1926490 0.74 NOX1 (0.43) NOX1GAAMAPTMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
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-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-7291641-B2 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) 2007-11-06 US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US disclosed
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 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 (4 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 NOX1 294/4885GAA 4465/4885MAPT 1601/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 NOX1 331/4885GAA 3696/4885MAPT 1306/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 NOX1 283/4885GAA 4369/4885MAPT 1207/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 NOX1 206/4885GAA 4117/4885MAPT 1079/4885

“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.