SCHEMBL6101082

SCHEMBL6101082

O=C(O)c1cc2cc(Cl)ccc2cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.46
MAP4K4 O95819 1/20 0.42
P4HTM Q9NXG6 4/20 0.42
EGFR P00533 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
P4HA1 P13674 1/20 0.40
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IGFBP3 P17936 1/20 0.40

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
SCHEMBL211946 0.93 KMO (0.46) KMOMAP4K4P4HTMEGFRF7
Hydrochloric Acid SCHEMBL742842 0.91 KMO (0.45) KMOMAP4K4P4HTMEGFRF7
SCHEMBL25982237 0.84 NPC1 (0.40) EGFRSMN1; SMN2
SCHEMBL6097630 0.80 LCK (0.55) KDM4EMRGPRX4ALDH1A1
SCHEMBL14684656 0.79 KDM4E (0.56) P4HTMEGFRKDM4EASPHKDM8
SCHEMBL30481293 0.79 KDM4E (0.56) P4HTMEGFRKDM4EASPHKDM8
SCHEMBL3207019 0.79 KDM4E (0.49) KMOP4HTMKDM4EASPHKDM8
SCHEMBL6099196 0.79 CYP2A6 (0.45) KMOP4HTMKDM4EASPHKDM8
SCHEMBL31055620 0.78 KDM4E (0.50) KMOP4HTMEGFRKDM4EASPH
SCHEMBL4670841 0.78 KDM4E (0.50) KMOP4HTMEGFRKDM4EASPH

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 KMO 800/4885MAP4K4 4550/4885P4HTM 2736/4885

“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.