SCHEMBL3397254

SCHEMBL3397254

O=C(Cc1ccccc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 1.00
KMT2A Q03164 3/20 0.79
MEN1 O00255 2/20 0.79
ALDH1A1 P00352 2/20 0.79
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
POLB P06746 2/20 0.71
EPHX1 P07099 2/20 0.68
LMNA P02545 1/20 0.66
SIGMAR1 Q99720 1/20 0.65
HPGD P15428 1/20 0.64

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
SCHEMBL5051924 1.00 EPHX2 (1.00) EPHX2KMT2AMEN1ALDH1A1NPC1
SCHEMBL2753089 0.98 EPHX2 (0.96) EPHX2KMT2AMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL5047929 0.96 EPHX2 (0.93) EPHX2KMT2AMEN1ALDH1A1NPC1
SCHEMBL5049597 0.95 EPHX2 (0.90) EPHX2KMT2AMEN1ALDH1A1NPC1
SCHEMBL2469256 0.91 EPHX2 (0.83) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL528257 0.86 EPHX2 (0.75) EPHX2KMT2AMEN1ALDH1A1NPC1
SCHEMBL1800332 0.85 EPHX2 (0.74) EPHX2KMT2AMEN1ALDH1A1NPC1
Cadaverine Tartrate SCHEMBL5053647 0.85 EPHX2 (0.74) EPHX2KMT2AMEN1ALDH1A1NPC1
SCHEMBL13169536 0.85 EPHX2 (0.83) EPHX2KMT2AMEN1ALDH1A1NPC1
SCHEMBL3455859 0.85 EPHX2 (0.83) EPHX2KMT2AMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948164-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045979-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US claimed
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 WO disclosed
US-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-8476043-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-8476043-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US disclosed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US disclosed
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US disclosed
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
WO-1997041846-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 EP disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-4508911-A Amine intermediates for analgesic compounds THE UPJOHN COMPANY (US) 1985-04-02 US disclosed
US-4438130-A Analgesic 1-oxa-, aza- and thia-spirocyclic compounds THE UPJOHN COMPANY (US) 1984-03-20 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 (1 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-20120270282-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA EPHX2 1859/4885KMT2A 1693/4885MEN1 3881/4885

“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.