SCHEMBL12677409

SCHEMBL12677409

COc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)cc2N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
KDM4E B2RXH2 3/20 0.72
MAPT P10636 2/20 0.72
ALDH1A1 P00352 2/20 0.72
RAB9A P51151 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NPC1 O15118 1/20 0.72
L3MBTL1 Q9Y468 2/20 0.60
ATM Q13315 1/20 0.60
MAPKAPK2 P49137 2/20 0.57
CA12 O43570 5/20 0.56
CA9 Q16790 5/20 0.56
LMNA P02545 1/20 0.55
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
HTT P42858 1/20 0.51
NLRP3 Q96P20 1/20 0.51
AURKA O14965 2/20 0.51
SSTR5 P35346 1/20 0.50

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
SCHEMBL2712424 0.86 L3MBTL1 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL14176067 0.86 LMNA (0.65) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL14176080 0.86 MEN1 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL14175673 0.84 MEN1 (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL12677238 0.83 MEN1 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL15331897 0.83 KMT2A (0.76) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL12670712 0.82 NPC1 (0.74) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL14176104 0.78 KMT2A (0.49) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL182629 0.75 CHEK1 (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL6681990 0.75 L3MBTL1 (1.00) MEN1KMT2AKDM4EMAPTALDH1A1

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
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1932833-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 EP 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-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME XDH, CBR3, CBR1 MEN1 4402/4885KMT2A 4106/4885KDM4E 3294/4885

“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.