SCHEMBL207571

SCHEMBL207571

O=C(Cl)c1cccc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
KAT6A Q92794 2/20 0.52
CYP2A6 P11509 1/20 0.50
KDM4E B2RXH2 4/20 0.49
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
SCN9A Q15858 1/20 0.45
FFAR1 O14842 1/20 0.45
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5108635 0.85 KAT6A (0.55) CNR1KAT6ACYP2A6KDM4EKDM6B
SCHEMBL29800516 0.84 KDM4E (0.69) CNR1KAT6ACYP2A6KDM4EKDM6B
SCHEMBL2457556 0.84 KAT6A (0.54) CNR1KAT6ACYP2A6KDM4EKDM6B
SCHEMBL29688109 0.84 SLC6A7 (0.52) CYP2A6KDM4EKDM6BKDM4AKDM5C
SCHEMBL204707 0.84 SLC6A7 (0.52) CYP2A6KDM4EKDM6BKDM4AKDM5C
SCHEMBL207017 0.84 KDM4E (0.69) CNR1KAT6ACYP2A6KDM4EKDM6B
SCHEMBL167080 0.82 CHEK2 (0.57) CNR1KAT6ACYP2A6KDM4EKDM6B
Hydrochloric Acid SCHEMBL6717689 0.82 SLC6A7 (0.51) CYP2A6P4HTML3MBTL1CHEK2DHODH
SCHEMBL30937997 0.82 MAP4K4 (0.55) CNR1KAT6ACYP2A6KDM4EKDM6B
SCHEMBL30036208 0.82 CHEK2 (0.57) CNR1KAT6ACYP2A6KDM4EKDM6B

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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 (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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 CNR1 1646/4885KAT6A 913/4885CYP2A6 1764/4885

“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.