SCHEMBL2075985

SCHEMBL2075985

O=[N+]([O-])/C=C/c1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.48
HSP90AA1 P07900 1/20 0.47
EGFR P00533 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ABL1 P00519 1/20 0.37
ABL2 P42684 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2075986 1.00 FBP1 (0.48) FBP1HSP90AA1EGFRPTGS1PTGS2
SCHEMBL793300 0.77 FBP1 (0.42) FBP1HSP90AA1EGFRMAPTABL1
SCHEMBL793301 0.77 FBP1 (0.42) FBP1HSP90AA1EGFRMAPTABL1
SCHEMBL1365399 0.77 FBP1 (0.48) FBP1HSP90AA1EGFRPTGS1PTGS2
SCHEMBL8138167 0.77 MAPT (0.53) FBP1HSP90AA1MAPTRECQLALDH1A1
SCHEMBL8138170 0.77 MAPT (0.53) FBP1HSP90AA1MAPTRECQLALDH1A1
SCHEMBL1365397 0.77 FBP1 (0.48) FBP1HSP90AA1EGFRPTGS1PTGS2
SCHEMBL16785380 0.73 FBP1 (0.49) FBP1HSP90AA1EGFRMAPTALDH1A1
SCHEMBL18106502 0.73 FBP1 (0.49) FBP1HSP90AA1EGFRMAPTALDH1A1
SCHEMBL16795760 0.69 PTGS1 (0.43) PTGS1PTGS2MAPTRECQLMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101318961-B Fused heterocyclic compound JANSSEN PHARMACEUTICA NV 2012-11-28 CN disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
CN-101318962-A Fused heterocyclic compound JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 CN disclosed
CN-101318961-A Fused heterocyclic compound JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 CN disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
CN-1882590-A Fused heterocyclic compounds as serotonin receptor modulators JOHNSON & JOHNSON (BE) 2006-12-20 CN disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO disclosed
US-4148795-A Dithiocarbamate ester bactericides and fungicides AMERICAN CYANAMID COMPANY (US) 1979-04-10 US disclosed
US-4038288-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-07-26 US disclosed
US-4011230-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-03-08 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 (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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B FBP1 1093/4885HSP90AA1 1676/4885EGFR 4700/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B FBP1 1093/4885HSP90AA1 1676/4885EGFR 4700/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B FBP1 1093/4885HSP90AA1 1676/4885EGFR 4700/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B FBP1 1093/4885HSP90AA1 1676/4885EGFR 4700/4885

“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.