SCHEMBL507273

SCHEMBL507273

CC(C)(C)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
EGLN1 Q9GZT9 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MLYCD O95822 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PRSS1 P07477 1/20 0.48
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
CMA1 P23946 1/20 0.48
ANO1 Q5XXA6 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 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
SCHEMBL17865779 0.84 LMNA (0.58) MAOBLMNAHTTPOLB
SCHEMBL1877453 0.82 POLB (0.64) EPHX2CA1CA2MLYCDMEN1
SCHEMBL12085989 0.81 LMNA (0.46) MAOBNPC1RAB9APKMLMNA
SCHEMBL8612257 0.81 MLYCD (0.58) EPHX2CA1CA2MLYCDMEN1
SCHEMBL13701651 0.80 ANO1 (0.58) ANO1ALDH1A1LMNAGSK3B
SCHEMBL7835765 0.79 MEN1 (0.49) EPHX2CA1CA2MLYCDMEN1
SCHEMBL1417979 0.79 HDAC2 (0.57) EPHX2CA1CA2MLYCDMEN1
SCHEMBL22099995 0.78 LRRK2 (0.48) EPHX2EGLN1MEN1KMT2AMAOA
SCHEMBL13590906 0.78 CA1 (0.59) EPHX2CA1CA2MLYCDMEN1
SCHEMBL2522600 0.78 LMNA (0.53) KMT2AMAOBALDH1A1LMNAHTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP claimed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP claimed
US-5472983-A Neurodegenerative conditions associated with dopamine depletion, e.g. Alzheimer's, Parkinson's, multiple sclerosis, Huntington's amyltrophic lateral sclerosis and vision defects CENTAUR PHARMACEUTICALS, INC. (US) 1995-12-05 US claimed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 WO claimed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP disclosed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP disclosed
US-5472983-A Neurodegenerative conditions associated with dopamine depletion, e.g. Alzheimer's, Parkinson's, multiple sclerosis, Huntington's amyltrophic lateral sclerosis and vision defects CENTAUR PHARMACEUTICALS, INC. (US) 1995-12-05 US disclosed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 EPHX2 3440/4885EGLN1 2657/4885CA1 1863/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC EPHX2 2830/4885EGLN1 3469/4885CA1 2610/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 EPHX2 3569/4885EGLN1 2756/4885CA1 1963/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 EPHX2 3820/4885EGLN1 1502/4885CA1 2456/4885

“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.