SCHEMBL724099

SCHEMBL724099

COc1ccc(-n2cc(C=O)c(CN3CCOCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NLRP3 Q96P20 1/20 0.47
KDM5B Q9UGL1 3/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
AKR1C3 P42330 1/20 0.40
DHFR P00374 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL716807 0.81 SMN1; SMN2 (0.51) SMN1; SMN2KDM5BALDH1A1CYP2D6TSHR
SCHEMBL719884 0.80 KDM5B (0.55) SMN1; SMN2MEN1KMT2AKDM5BALDH1A1
SCHEMBL718659 0.79 MEN1 (0.56) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL719455 0.78 MEN1 (0.55) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL718670 0.73 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AKDM5BALDH1A1
SCHEMBL718901 0.72 MEN1 (0.60) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL718323 0.69 MEN1 (0.54) MEN1KMT2ANLRP3ALDH1A1MAPT
SCHEMBL719988 0.69 MEN1 (0.56) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL5755331 0.68 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AALDH1A1CYP2D6TSHR
SCHEMBL2555928 0.68 MEN1 (0.59) MEN1KMT2ANLRP3ALDH1A1KDM4E

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885MEN1 444/4885KMT2A 1298/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMN1; SMN2 1051/4885MEN1 444/4885KMT2A 1298/4885

“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.