SCHEMBL426275

SCHEMBL426275

[CH2]C(=O)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.63
CA2 P00918 2/20 0.63
CA9 Q16790 2/20 0.63
EPHX1 P07099 1/20 0.61
PLAAT5 Q96KN8 3/20 0.59
PLAAT4 Q9UL19 3/20 0.59
MMP1 P03956 2/20 0.59
MMP2 P08253 2/20 0.59
CA1 P00915 1/20 0.59
MMP3 P08254 1/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
PLAAT3 P53816 2/20 0.56
PLAAT2 Q9NWW9 2/20 0.56

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
SCHEMBL422826 0.88 L3MBTL1 (0.68) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL425222 0.86 TRPV1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22412530 0.83 PLAAT5 (0.75) CA12CA2CA9EPHX1PLAAT5
Phenethylcarbamic Acid SCHEMBL249525 0.83 CA12 (0.68) CA12CA2CA9EPHX1PLAAT5
SCHEMBL6032606 0.83 EPHX1 (0.85) CA12CA2CA9EPHX1PLAAT5
SCHEMBL27711422 0.82 LMNA (0.51) CA12CA2CA9CA1NPC1
SCHEMBL1567251 0.81 CA12 (0.66) CA12CA2CA9EPHX1PLAAT5
Phenethylcarbamic Acid SCHEMBL9718519 0.81 CA12 (0.66) CA12CA2CA9EPHX1PLAAT5
Phenethylcarbamic Acid SCHEMBL4459966 0.81 CA12 (0.66) CA12CA2CA9EPHX1PLAAT5
Phenethylcarbamic Acid SCHEMBL28010696 0.81 CA12 (0.66) CA12CA2CA9EPHX1PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US claimed
EP-1802297-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2008-05-28 EP claimed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN claimed
EP-1802297-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION The Burnham Institute (US) 2007-07-04 EP claimed
WO-2006047162-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION THE BURNHAM INSTITUTE (US) 2006-05-04 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-1802297-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2011-03-30 EP disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed
EP-0192255-B1 BIS-2H-PYRROLIDINE DIONES CIBA-GEIGY AG (CH) 1990-08-08 EP disclosed
US-4789674-A ALZHEIMER'S DISEASE, MEMORY, DEMENTIA CIBA-GEIGY CORPORATION (US) 1988-12-06 US disclosed
US-4758575-A Bi-2H-pyrroli(di)nediones CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
EP-0192255-A2 Bis-2H-pyrrolidine diones CIBA-GEIGY AG (CH) 1986-08-27 EP 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 (4 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CA12 3972/4885CA2 3841/4885CA9 2263/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CA12 2406/4885CA2 2701/4885CA9 1182/4885
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION PTPRS, PTPRO, PTPN5 CA12 2514/4885CA2 758/4885CA9 1873/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CA12 1663/4885CA2 1297/4885CA9 1854/4885

“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.