SCHEMBL1929111

SCHEMBL1929111

O=C(NCCc1nc(-c2ccc(N3CCCC3)cc2)c[nH]1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
GAA P10253 1/20 0.42
CTSL P07711 6/20 0.42
CTSB P07858 6/20 0.42
CTSK P43235 6/20 0.42
AURKA O14965 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL1928930 0.87 IDO1 (0.49) IDO1LMNASMN1; SMN2HTTMAPT
SCHEMBL2345379 0.84 DHODH (0.41) GAALMNASMN1; SMN2TP53ALDH1A1
SCHEMBL1926485 0.83 SMN1; SMN2 (0.52) GAASMN1; SMN2TP53MAPK1HTT
SCHEMBL1929713 0.82 HRH4 (0.38) CTSLCTSKSMN1; SMN2TP53GFER
SCHEMBL1930013 0.82 TP53 (0.39) CTSKKDRFLT3SMN1; SMN2TP53
SCHEMBL1928800 0.82 IDO1 (0.45) IDO1LMNASMN1; SMN2HTTMAPT
SCHEMBL1927611 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TP53MAPT
SCHEMBL1926400 0.81 IDO1 (0.44) IDO1LMNASMN1; SMN2HTTMAPT
SCHEMBL1926574 0.81 TP53 (0.38) CTSLCTSBCTSKKDRFLT3
SCHEMBL8320312 0.79 TGM2 (0.52) IDO1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP claimed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US claimed
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 claimed
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-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 IDO1 1766/4885GAA 4465/4885CTSL 4337/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 IDO1 987/4885GAA 3696/4885CTSL 4347/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 IDO1 1366/4885GAA 4369/4885CTSL 4302/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 IDO1 1527/4885GAA 4117/4885CTSL 4234/4885

“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.