SCHEMBL6454774

SCHEMBL6454774

Nc1cccc(CCO)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.47
NOS1 P29475 4/20 0.47
BACE1 P56817 3/20 0.45
APP P05067 1/20 0.43
NOS3 P29474 3/20 0.41
KCNH2 Q12809 2/20 0.39
CPB2 Q96IY4 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
MPO P05164 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL30391820 1.00 NOS2 (0.47) NOS2NOS1BACE1APPNOS3
SCHEMBL7795635 0.88 NOS1 (0.46) NOS2NOS1BACE1APPNOS3
SCHEMBL20099826 0.86 KCNH2 (0.46) NOS2NOS1BACE1APPNOS3
SCHEMBL4273309 0.84 KCNH2 (0.52) NOS2NOS1KCNH2HRH4
SCHEMBL855285 0.82
SCHEMBL7980764 0.80 NOS1 (0.48) NOS2NOS1BACE1APPNOS3
SCHEMBL6014618 0.80 NOS1 (0.48) NOS2NOS1BACE1APPNOS3
Hydrochloric Acid SCHEMBL7798240 0.78 NOS1 (0.47) NOS2NOS1BACE1APPNOS3
SCHEMBL19662325 0.78 NOS1 (0.47) NOS2NOS1BACE1APPNOS3
SCHEMBL1540707 0.78 NOS2 (0.52) NOS2NOS1BACE1APPNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 CN disclosed
EP-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 EP disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 CN disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 WO disclosed
CN-1897944-A Benzenesulfonamido-pyridin-2-yl derivatives and related compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD-1) for the treatment of diabetes and obesity AGOURON PHARMA (US) 2007-01-17 CN disclosed
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AGOURON PHARMACEUTICALS, INC. 2005-07-07 US disclosed
US-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 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 (2 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL NOS2 2467/4885NOS1 1825/4885BACE1 1515/4885
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B11, HSD11B2 NOS2 833/4885NOS1 384/4885BACE1 602/4885

“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.