SCHEMBL3401285

SCHEMBL3401285

N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Br)cc2Cl)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
GALR3 O60755 1/20 0.41
CNR1 P21554 9/20 0.41
BIRC5 O15392 2/20 0.41
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
PDE5A O76074 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 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
SCHEMBL1404496 0.90 CNR1 (0.49) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL3621034 0.85 CNR1 (0.46) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL1404528 0.85 KDM4E (0.51) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL5363935 0.83 CNR1 (0.51) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL5363205 0.83 KDM4E (0.49) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL19835567 0.83 MCL1 (0.55) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL3100284 0.80 KDM4E (0.50) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL5363847 0.78 KDM4E (0.59) MCL1KDM4EHPGDALDH1A1GAA
SCHEMBL1404667 0.77 KMT2A (0.39) ALDH1A1GAACNR1BIRC5LMNA
SCHEMBL19835568 0.77 KDM4E (0.51) MCL1KDM4EHPGDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146997-B1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 EP disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 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-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH MCL1 1028/4885KDM4E 2064/4885HPGD 3493/4885

“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.