SCHEMBL1726941

SCHEMBL1726941

CNc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.72
VCAM1 P19320 1/20 0.61
CDC25B P30305 1/20 0.60
KMT2A Q03164 2/20 0.58
HTT P42858 1/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
PTGER4 P35408 1/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL29557079 0.88 VCAM1 (0.57) HCAR3VCAM1CDC25BKMT2AHTT
SCHEMBL223175 0.88 VCAM1 (0.57) HCAR3VCAM1CDC25BKMT2AHTT
SCHEMBL9631245 0.86 VCAM1 (0.59) HCAR3VCAM1KMT2AHTTALDH1A1
SCHEMBL1965205 0.85 KMT2A (0.76) HCAR3CDC25BKMT2AHTTALDH1A1
SCHEMBL9137225 0.85 KMT2A (0.76) HCAR3VCAM1KMT2AHTTALDH1A1
SCHEMBL321911 0.84 HCAR3 (1.00) HCAR3CDC25BKMT2A
SCHEMBL973813 0.84 HCAR3 (0.77) HCAR3CDC25BKMT2AHTTALDH1A1
SCHEMBL2248076 0.84 HCAR3 (0.74) HCAR3VCAM1KMT2AHTTALDH1A1
SCHEMBL2248178 0.84 HCAR3 (0.74) HCAR3VCAM1KMT2AALDH1A1MAPT
SCHEMBL17184409 0.84 VCAM1 (0.60) HCAR3VCAM1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026106403-A1 NOVEL NRF2 ACTIVATOR AND USE THEREOF 나손사이언스(주) 2026-05-21 WO disclosed
US-20260109709-A1 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-23 US disclosed
EP-4232431-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO INC (US) 2025-08-13 EP disclosed
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
EP-4426690-A2 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-09-11 EP disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2024-02-13 US disclosed
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PHARMACIA CORPORATION 2005-01-13 US disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 WO disclosed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
US-4138572-A Malonanilic derivatives ROUSSEL UCLAF (FR) 1979-02-06 US disclosed
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 US disclosed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 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 (6 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN HCAR3 1803/4885VCAM1 3991/4885CDC25B 4293/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 HCAR3 1185/4885VCAM1 1505/4885CDC25B 1812/4885
US-20260109709-A1 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 HCAR3 2660/4885VCAM1 3756/4885CDC25B 2269/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 HCAR3 1788/4885VCAM1 563/4885CDC25B 2163/4885
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 HCAR3 2681/4885VCAM1 3785/4885CDC25B 1409/4885
US-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PCNA, POLM, PBRM1 HCAR3 1653/4885VCAM1 2915/4885CDC25B 2994/4885

“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.