SCHEMBL1928484

SCHEMBL1928484

CC(=O)N1c2ccccc2Sc2ccc(C(=O)CBr)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.63
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SNCA P37840 1/20 0.50
BCHE P06276 8/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL4804607 0.88 NOX1 (0.65) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL4622014 0.85 NOX1 (0.73) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL30725912 0.85 NOX1 (0.73) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL1927792 0.85 BCHE (0.53) MAPTBCHEHTR2CADRA1AHTR2B
SCHEMBL341905 0.80 NOX1 (1.00) NOX1MAPTSNCABCHEPOLB
SCHEMBL30198410 0.80 NOX1 (1.00) NOX1MAPTSNCABCHEPOLB
SCHEMBL17297109 0.76 NOX1 (0.73) NOX1LMNAMAPTMAPK1TDP1
SCHEMBL8870414 0.76 NOX1 (0.73) NOX1LMNAMAPTSNCABCHE
SCHEMBL1927994 0.75 BCHE (0.56) MAPTBCHEHTR2CADRA1AHTR2B
SCHEMBL24439550 0.74 NOX1 (0.69) NOX1MAPTSNCABCHEACHE

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-1675836-B1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY IPSEN PHARMA (FR) 2016-04-13 EP disclosed
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-20080108683-A1 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2008-05-08 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-20070054900-A1 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2007-03-08 US disclosed
EP-1675836-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-07-05 EP disclosed
WO-2005035510-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-04-21 WO 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 (6 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 294/4885LMNA 4096/4885MAPT 1601/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 NOX1 331/4885LMNA 3964/4885MAPT 1306/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 NOX1 283/4885LMNA 4025/4885MAPT 1207/4885
US-20080108683-A1 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY TPMT, MAPT, TRPV4 NOX1 3784/4885LMNA 4129/4885MAPT 2/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 NOX1 206/4885LMNA 4299/4885MAPT 1079/4885
US-20070054900-A1 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy TPMT, P2RX4, CACNA1I NOX1 4576/4885LMNA 3612/4885MAPT 4/4885

“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.