SCHEMBL628952

SCHEMBL628952

CCCCNC(=O)CC1CCCCC1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.57
NFE2L2 Q16236 3/20 0.57
EPHX2 P34913 3/20 0.53
NAAA Q02083 1/20 0.51
EPHX1 P07099 10/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6359085 0.98 KEAP1 (0.55) KEAP1NFE2L2EPHX2NAAAEPHX1
SCHEMBL8847557 0.95 KEAP1 (0.60) KEAP1NFE2L2EPHX2NAAAEPHX1
SCHEMBL6627703 0.94 KEAP1 (0.52) KEAP1NFE2L2EPHX2NAAAEPHX1
SCHEMBL12196017 0.93 NAAA (0.61) KEAP1NFE2L2EPHX2NAAAEPHX1
SCHEMBL15688611 0.93 NAAA (0.61) KEAP1NFE2L2EPHX2NAAAEPHX1
SCHEMBL8848096 0.93 NAAA (0.61) KEAP1NFE2L2EPHX2NAAAEPHX1
Hydrochloric Acid SCHEMBL30884882 0.90 NAAA (0.57) KEAP1NFE2L2EPHX2NAAAEPHX1
SCHEMBL8848512 0.89 EPHX2 (0.55) KEAP1NFE2L2EPHX2EPHX1HPGD
SCHEMBL6360164 0.87 EPHX2 (0.53) KEAP1NFE2L2EPHX2EPHX1HPGD
SCHEMBL15680573 0.87 KEAP1 (0.66) KEAP1NFE2L2EPHX2EPHX1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B KEAP1 3809/4885NFE2L2 4780/4885EPHX2 1946/4885

“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.