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Sugi Predict / Compounds / SCHEMBL1928352

SCHEMBL1928352

SCHEMBL1928352

COC(=O)N1CCN(Cc2nc(-c3ccc4c(c3)Nc3ccccc3S4)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.42
▸ MAPT P10636 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NOX1 Q9Y5S8 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MARK4 Q96L34 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL1927065 0.91 ACKR3 (0.41) DRD4
SCHEMBL1929574 0.90 BAZ2A (0.47) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL4037542 0.89 MAPK1 (0.40) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL1929482 0.85 ALDH1A1 (0.48) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL1926008 0.85 DRD4 (0.42) DRD4MAPTGAAALDH1A1NOX1
Hydrochloric Acid SCHEMBL1927799 0.84 ALDH1A1 (0.47) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL1927225 0.83 DRD4 (0.41) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL1927926 0.83 ICAM1 (0.40) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL1929691 0.82 SPHK2 (0.42) DRD4MAPTGAAALDH1A1NOX1
SCHEMBL1926468 0.82 CTSL (0.42) DRD4MAPTGAAALDH1A1NOX1

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 13 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
CN-1284777-C 5-membered heterocycles, preparation and use thereof as medicine SOD CONSEILS RECH APPLIC (FR) 2006-11-15 — — CN 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
CN-1535267-A 5-membered heterocycles, preparation and use thereof as medicine ��ѧ�о���Ӧ����ѯ��˾ 2004-10-06 — — CN 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 DRD4 918/4885MAPT 1601/4885GAA 4465/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 DRD4 876/4885MAPT 1306/4885GAA 3696/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 DRD4 776/4885MAPT 1207/4885GAA 4369/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 DRD4 820/4885MAPT 1079/4885GAA 4117/4885

“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.