SCHEMBL4699862

SCHEMBL4699862

CSc1nc2cc(-c3cccnc3)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
CYP1A2 P05177 3/20 0.50
RAB9A P51151 3/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP19A1 P11511 4/20 0.49
TSHR P16473 1/20 0.49
PGR P06401 1/20 0.49
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 4/20 0.46
CYP17A1 P05093 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL880329 0.83 GAA (0.66) KDM4ENPC1RAB9ANPSR1PGR
SCHEMBL28587646 0.79 PIM1 (0.53) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL30386502 0.79 PIM1 (0.53) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL22663954 0.77 HDAC6 (0.65) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL25624699 0.75 KDM4E (0.61) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL20714112 0.75 HDAC6 (0.62) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL25624873 0.75 NPC1 (0.61) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL4703660 0.75 ELANE (0.41) ALDH1A1HSD17B10MEN1KMT2AFAAH
SCHEMBL3476250 0.73 FAAH (0.61) KDM4ENPC1CYP1A2RAB9ACYP2C19
SCHEMBL4062301 0.73 NPC1 (0.66) KDM4ENPC1CYP1A2RAB9ACYP2C19

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 KDM4E 4027/4885NPC1 96/4885CYP1A2 769/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KDM4E 4365/4885NPC1 99/4885CYP1A2 729/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KDM4E 4365/4885NPC1 99/4885CYP1A2 729/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF KDM4E 1393/4885NPC1 197/4885CYP1A2 325/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KDM4E 4365/4885NPC1 99/4885CYP1A2 729/4885

“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.