SCHEMBL5225829

SCHEMBL5225829

Cc1ccc2nc(CNCc3ccc(-c4ccc(-c5noc(C)n5)cc4)cc3)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
HDAC8 Q9BY41 6/20 0.47
PLK1 P53350 1/20 0.41
HDAC2 Q92769 3/20 0.41
TPH1 P17752 1/20 0.39
TPH2 Q8IWU9 1/20 0.39
METTL3 Q86U44 5/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL5222748 0.86 KDM4E (0.48) HDAC1HDAC8PLK1TPH1TPH2
SCHEMBL5222368 0.81 RAB9A (0.45) HDAC1HDAC8PLK1HDAC2TPH1
SCHEMBL5222506 0.71 L3MBTL1 (0.43) HDAC1HDAC8PLK1HDAC2MEN1
SCHEMBL632081 0.71 PLK1 (0.56) HDAC1HDAC8PLK1NPC1ALDH1A1
SCHEMBL5222143 0.70 HDAC1 (0.48) HDAC1HDAC8PLK1HDAC2RAB9A
SCHEMBL5225416 0.70 L3MBTL1 (0.43) HDAC1HDAC8HDAC2ALDH1A1SMN1; SMN2
SCHEMBL5224631 0.69 PLK1 (0.43) HDAC1HDAC8PLK1HDAC2RAB9A
SCHEMBL21683299 0.69 PLK1 (0.58) HDAC1HDAC8PLK1RAB9AKMT2A
SCHEMBL21702520 0.69 PLK1 (0.51) HDAC1HDAC8PLK1HDAC2RAB9A
SCHEMBL2967349 0.68 L3MBTL1 (0.62) PLK1MEN1NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 US claimed
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP disclosed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 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-20060019998-A1 Histamine-3 receptor antagonist HRH3, HRH4, HRH2 HDAC1 1331/4885HDAC8 1424/4885PLK1 1208/4885

“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.