SCHEMBL6543322

SCHEMBL6543322

O=C(O)Nc1c(Br)cncc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
HCAR2 Q8TDS4 2/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.33
P2RX4 Q99571 1/20 0.33
HTT P42858 3/20 0.33
GAA P10253 2/20 0.33
ROCK2 O75116 1/20 0.33
ALOX12 P18054 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6544376 0.80 PLK4 (0.39) ALDH1A1HTTROCK1ALOX15LMNA
SCHEMBL4167659 0.72 HPGD (0.44) POLBALDH1A1NPC1RAB9AKMT2A
SCHEMBL4831443 0.71 BCHE (0.46) POLBNPC1RAB9AKMT2AHTT
SCHEMBL9031903 0.69 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKDM4EHTT
SCHEMBL4061073 0.69 HCAR2 (0.46) POLBHCAR2ALDH1A1KMT2AKDM4E
SCHEMBL3007374 0.68 POLB (0.52) POLBHCAR2ALDH1A1NPC1RAB9A
SCHEMBL30060762 0.68 TDP1 (0.40) POLBALDH1A1KMT2AKDM4EHTT
SCHEMBL17981021 0.68 IMPDH2 (0.41) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL21827623 0.67 NPC1 (0.35) ALDH1A1NPC1RAB9AKMT2AGAA
SCHEMBL16702460 0.67 HCAR2 (0.34) HCAR2ALDH1A1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6680329-B2 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-SYNTHELABO (FR) 2004-01-20 US disclosed
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-AVENTIS (FR) 2003-11-06 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-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants PROC, VKORC1, SERPINC1 POLB 3846/4885HCAR2 624/4885ALDH1A1 482/4885

“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.