SCHEMBL1928532

SCHEMBL1928532

CCCCCC(=O)NCc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
HDAC3 O15379 6/20 0.46
HDAC4 P56524 6/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC7 Q8WUI4 6/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC10 Q969S8 6/20 0.46
HDAC11 Q96DB2 6/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC6 Q9UBN7 6/20 0.46
HDAC9 Q9UKV0 6/20 0.46
HDAC5 Q9UQL6 6/20 0.46
SUCNR1 Q9BXA5 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL1927420 0.93 PARP1 (0.49) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1927266 0.86 NOX1 (0.46) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4033770 0.85 MAPT (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1928123 0.85 SLC2A1 (0.40) PARP1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1927470 0.84 SLC2A1 (0.40) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1928745 0.84 SLC2A1 (0.41) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1929343 0.81 SLC2A1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1930213 0.81 NOX1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2340074 0.81 NOX1 (0.43) MAPTALDH1A1LMNAMEN1GAA
Hydrochloric Acid SCHEMBL1929443 0.81 SLC2A1 (0.41) MAPTALDH1A1LMNAMEN1GAA

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 16 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-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
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP claimed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO 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
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
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO 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 PARP1 3482/4885HDAC3 857/4885HDAC4 1527/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 PARP1 2590/4885HDAC3 608/4885HDAC4 907/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 PARP1 3282/4885HDAC3 706/4885HDAC4 1248/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 PARP1 3412/4885HDAC3 816/4885HDAC4 1370/4885

“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.