SCHEMBL3453783

SCHEMBL3453783

Nc1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.76
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA5A P35218 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
PRMT1 Q99873 1/20 0.66
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
NPC1 O15118 3/20 0.62
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
GAA P10253 2/20 0.60

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
SCHEMBL22664803 0.93 EPHX2 (0.76) EPHX2CA12CA1CA2CA5A
SCHEMBL38662293 0.91 GAA (0.67) EPHX2CA12CA1CA2CA5A
SCHEMBL4627886 0.90 EPHX2 (0.67) EPHX2CA12CA1CA2CA5A
SCHEMBL1516167 0.87 EPHX2 (1.00) EPHX2CA12CA1CA2CA5A
Hydrochloric Acid SCHEMBL27735879 0.85 EPHX2 (0.96) EPHX2CA12CA1CA2CA5A
SCHEMBL4451257 0.84 GAA (0.59) EPHX2CA12CA1CA2CA5A
SCHEMBL27507480 0.84 EPHX2 (0.73) EPHX2CA12CA1CA2CA5A
SCHEMBL4420812 0.84 EPHX2 (0.79) EPHX2CA12CA1CA2CA5A
SCHEMBL5175200 0.84 EPHX2 (0.79) EPHX2CA12CA1CA2CA5A
SCHEMBL9478851 0.84 EPHX2 (0.85) EPHX2CA12CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287033-A1 DEGRADERS OF TISSUE TRANSGLUTAMINASE 2 (TG2) UNITED STATES GOVERNMENT 2024-08-29 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 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 (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-20240287033-A1 DEGRADERS OF TISSUE TRANSGLUTAMINASE 2 (TG2) PSMG3, UBE2G2, UBE2L3 EPHX2 3433/4885CA12 2435/4885CA1 3193/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 EPHX2 4458/4885CA12 4884/4885CA1 4850/4885

“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.