SCHEMBL2437030

SCHEMBL2437030

O=[N+]([O-])C=Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 1.00
TLR4 O00206 4/20 0.64
TLR2 O60603 4/20 0.64
FBP1 P09467 7/20 0.60
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.48
AGTR1 P30556 1/20 0.48

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
SCHEMBL2437026 1.00 VCP (1.00) VCPTLR4TLR2FBP1CYP11B1
SCHEMBL30778142 1.00 VCP (1.00) VCPTLR4TLR2FBP1CYP11B1
SCHEMBL510245 0.78 TLR4 (0.70) VCPTLR4TLR2FBP1ALDH1A1
SCHEMBL510246 0.78 TLR4 (0.70) VCPTLR4TLR2FBP1ALDH1A1
SCHEMBL76743 0.77 MAPT (0.67) VCPFBP1CYP11B1CYP11B2MAPT
SCHEMBL76742 0.77 MAPT (0.67) VCPFBP1CYP11B1CYP11B2MAPT
SCHEMBL29691623 0.77 CYP11B1 (0.86) VCPCYP11B1CYP11B2MAPTKDM4E
SCHEMBL29691639 0.77 CYP11B1 (0.86) VCPCYP11B1CYP11B2MAPTKDM4E
SCHEMBL940946 0.76 FBP1 (0.63) VCPTLR4TLR2FBP1MAPT
SCHEMBL940945 0.76 FBP1 (0.63) VCPTLR4TLR2FBP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534792-A Super-hydrophobic intelligent response ion and electron conductive flexible electronic gel and preparation method and application thereof 陕西科技大学 2024-02-09 CN claimed
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 EP claimed
CN-117534792-A Super-hydrophobic intelligent response ion and electron conductive flexible electronic gel and preparation method and application thereof 陕西科技大学 2024-02-09 CN disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 EP disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
EP-2852591-A1 L-MALATE SALT OF 2, 7 - DIAZA - SPIRO [4.5]DEC- 7 - YLE DERIVATIVES AND CRYSTALLINE FORMS THEREOF AS GHRELIN RECEPTOR AGONISTS Novartis AG (CH) 2015-04-01 EP disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
CN-101495480-A Constrained compounds as cgrp-receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN disclosed
US-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN disclosed
CN-1842526-A Benzodiazepine CGRP receptor antagonists MERCK & CO INC (US) 2006-10-04 CN disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 EP disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 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 (3 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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 VCP 1236/4885TLR4 3303/4885TLR2 4146/4885
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 VCP 1922/4885TLR4 1871/4885TLR2 2779/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 VCP 1236/4885TLR4 3303/4885TLR2 4146/4885

“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.