SCHEMBL689933

SCHEMBL689933

O=[N+]([O-])c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
CASP6 P55212 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 1/20 0.34
FGFR1 P11362 1/20 0.33

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
SCHEMBL28994844 0.74 SMN1; SMN2 (0.43) POLBHTTLMNASMN1; SMN2ACHE
SCHEMBL25763670 0.74 SMN1; SMN2 (0.43) POLBHTTLMNASMN1; SMN2ACHE
SCHEMBL2877298 0.72 CYP11B1 (0.40) HTTLMNASMN1; SMN2ACHECYP2C9
SCHEMBL689592 0.71 CYP11B1 (0.37) LMNASMN1; SMN2KDM4ECYP1A2L3MBTL1
SCHEMBL18277898 0.71 POLB (0.50) POLBHTTLMNASMN1; SMN2ACHE
SCHEMBL23496592 0.70 CYP11B1 (0.39) HTTLMNASMN1; SMN2ACHECYP2C9
SCHEMBL8388038 0.70 CYP11B1 (0.39) HTTLMNASMN1; SMN2ACHECYP2C9
SCHEMBL1848390 0.70 CYP11B1 (0.39) HTTLMNASMN1; SMN2ACHECYP2C9
SCHEMBL8387437 0.70 CYP11B1 (0.39) HTTLMNASMN1; SMN2ACHECYP2C9
SCHEMBL2877294 0.70 CYP11B1 (0.39) HTTLMNASMN1; SMN2ACHECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 POLB 3728/4885HTT 3488/4885LMNA 3074/4885

“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.