Sugi Predict

Sugi Predict / Compounds / SCHEMBL1926008

SCHEMBL1926008

SCHEMBL1926008

CCN1CCN(Cc2nc(-c3ccc4c(c3)Nc3ccccc3S4)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.42
▸ MAPK1 P28482 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ STAT1 P42224 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ NOX1 Q9Y5S8 5/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GPR4 P46093 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ BCHE P06276 1/20 0.36

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
SCHEMBL1927225 0.92 DRD4 (0.41) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1929482 0.92 ALDH1A1 (0.48) DRD4MAPK1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL1927799 0.91 ALDH1A1 (0.47) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1928823 0.90 KDM1A (0.41) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1927926 0.90 ICAM1 (0.40) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1926468 0.89 CTSL (0.42) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1926523 0.89 DRD4 (0.39) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1926250 0.88 ALDH1A1 (0.45) DRD4MAPK1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL1928373 0.88 CTSL (0.41) DRD4MAPK1ALDH1A1GAAMAPT
SCHEMBL1929549 0.88 STAT1 (0.47) DRD4MAPK1ALDH1A1GAAMAPT

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 12 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
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 — — EP 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 DRD4 918/4885MAPK1 2594/4885ALDH1A1 1758/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 DRD4 876/4885MAPK1 1827/4885ALDH1A1 846/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 DRD4 776/4885MAPK1 2528/4885ALDH1A1 1506/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 DRD4 820/4885MAPK1 2751/4885ALDH1A1 1655/4885

“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.