SCHEMBL5222506

SCHEMBL5222506

Cc1nc(-c2ccc(-c3ccc(CNCc4nccn4C)cc3)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC8 Q9BY41 5/20 0.42
PLK1 P53350 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 3/20 0.38
MPO P05164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC2 Q92769 3/20 0.37
MAPT P10636 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
SCHEMBL5222799 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5928148 0.81 ALDH1A1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL5222143 0.75 HDAC1 (0.48) L3MBTL1LMNAHDAC1HDAC8PLK1
SCHEMBL632081 0.73 PLK1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2LMNAHDAC1
SCHEMBL2480641 0.73 MEN1 (0.58) HDAC1MEN1KMT2AHDAC6
SCHEMBL5226935 0.73 LMNA (0.41) L3MBTL1SMN1; SMN2LMNAHDAC1HDAC8
SCHEMBL1797127 0.72 OPRK1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5224631 0.72 PLK1 (0.43) L3MBTL1LMNAHDAC1HDAC8PLK1
SCHEMBL21702520 0.71 PLK1 (0.51) L3MBTL1LMNAHDAC1HDAC8PLK1
SCHEMBL5225829 0.71 HDAC1 (0.47) ALDH1A1SMN1; SMN2HDAC1HDAC8PLK1

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 L3MBTL1 4112/4885ALDH1A1 1183/4885SMN1; SMN2 1870/4885

“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.