SCHEMBL6099196

SCHEMBL6099196

Cc1ccc2cnc(C(=O)O)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 1/20 0.43
P4HTM Q9NXG6 3/20 0.42
PIN1 Q13526 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ASPH Q12797 3/20 0.41
KDM8 Q8N371 3/20 0.41
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
RIOX2 Q8IUF8 1/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39
MAPT P10636 1/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL11888294 0.93 CYP2A6 (0.46) CYP2A6CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL14438414 0.86 CYP2A6 (0.53) CYP2A6CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL1873296 0.81 LCK (0.56) CYP2A6CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL14438413 0.79 CYP2A6 (0.49) CYP2A6CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL30481293 0.79 KDM4E (0.56) ALDH1A1MEN1KMT2AP4HTMKDM4E
SCHEMBL3207019 0.79 KDM4E (0.49) ALDH1A1KMOP4HTMKDM4EASPH
SCHEMBL6101082 0.79 KMO (0.46) ALDH1A1KMOP4HTMKDM4EASPH
SCHEMBL14684656 0.79 KDM4E (0.56) ALDH1A1MEN1KMT2AP4HTMKDM4E
SCHEMBL31055620 0.78 KDM4E (0.50) ALDH1A1KMT2AKMOP4HTMKDM4E
SCHEMBL4670841 0.78 KDM4E (0.50) ALDH1A1KMT2AKMOP4HTMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 (1 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CYP2A6 11/4885CYP1A2 74/4885ALDH1A1 698/4885

“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.