SCHEMBL5221794

SCHEMBL5221794

CCCCc1ccc(-c2nc(Cl)nc3ccc(Br)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 3/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.47
PRNP P04156 1/20 0.44
DHODH Q02127 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTRC Q99895 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL14409709 0.85 KDM4E (0.47) EIF4A1KDM4EALDH1A1LMNAMAPT
SCHEMBL3116382 0.76 HTT (0.55) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL5225689 0.74 PRNP (0.47) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL182940 0.73 L3MBTL1 (0.51) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL5222437 0.72 CTSV (0.47) EIF4A1KDM4EALDH1A1LMNAMAPT
SCHEMBL6015526 0.72 NPC1 (0.48) EIF4A1ALDH1A1MAPTL3MBTL1NPC1
SCHEMBL5025655 0.71 KMT2A (0.54) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL23291935 0.71 DHODH (0.56) KDM4EALDH1A1DHODHADORA3
SCHEMBL2050263 0.70 NPC1 (0.64) ALDH1A1LMNAMAPTL3MBTL1NPC1
SCHEMBL9945516 0.70 RAB9A (0.50) KDM4EALDH1A1MAPTNPC1NFKB1

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
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed
EP-1618094-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-01-25 EP disclosed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US disclosed
WO-2004099159-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR EIF4A1 2675/4885KDM4E 1400/4885ALDH1A1 477/4885

“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.