SCHEMBL4700527

SCHEMBL4700527

CSc1nc2cc([N+](=O)[O-])c(Cl)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
ALDH1A1 P00352 3/20 0.56
PGK1 P00558 1/20 0.48
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
RECQL P46063 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLP1R P43220 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL4700580 0.96 LMNA (0.64) LMNAALDH1A1PGK1CA12CA9
SCHEMBL13892936 0.81 LMNA (0.59) LMNAALDH1A1PGK1CA12CA9
SCHEMBL5857203 0.78 LMNA (0.68) LMNAALDH1A1PGK1CA12CA9
SCHEMBL13883301 0.77 LMNA (0.56) LMNAALDH1A1PGK1CA12CA9
SCHEMBL14018693 0.77 ALDH1A1 (0.71) LMNAALDH1A1PGK1CA12CA9
SCHEMBL6497225 0.75 LMNA (0.63) LMNAALDH1A1PGK1CA12CA9
SCHEMBL11210425 0.74 LMNA (0.41) LMNAALDH1A1PGK1MAPTKMT2A
SCHEMBL10421505 0.74 LMNA (1.00) LMNAALDH1A1PGK1CA12CA9
SCHEMBL4704291 0.74 MAPT (0.56) LMNAALDH1A1MAPTKMT2ATDP1
SCHEMBL2073967 0.74 RAB9A (0.56) LMNAALDH1A1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439236-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC (US) 2008-10-21 US disclosed
EP-1219622-B1 Pharmaceutical compositions for CNS and other disorders PFIZER PROD INC (US) 2008-06-18 EP disclosed
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC 2007-05-03 US disclosed
US-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2005-08-11 US disclosed
US-6881734-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. (US) 2005-04-19 US disclosed
US-6809094-B2 N-FUSED HETERCYCLO-1,4- OR -1,5- DIAZABICYCLO DERIVATIVES; NICOTINIC RECEPTOR AGONISTS; CENTRAL NERVOUS SYSTEM (CNS) PFIZER INC 2004-10-26 US disclosed
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2004-10-14 US disclosed
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. 2003-06-26 US disclosed
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders O'NEILL BRIAN THOMAS (US) 2002-07-04 US disclosed
EP-1219622-A2 Pharmaceutical compositions for CNS and other disorders Pfizer Products Inc. (US) 2002-07-03 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 (5 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-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA10, CHRNA5 LMNA 1441/4885ALDH1A1 1685/4885PGK1 2982/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 LMNA 1839/4885ALDH1A1 1704/4885PGK1 3270/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 LMNA 1839/4885ALDH1A1 1704/4885PGK1 3270/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF LMNA 3370/4885ALDH1A1 2419/4885PGK1 3531/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 LMNA 1839/4885ALDH1A1 1704/4885PGK1 3270/4885

“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.