SCHEMBL720576

SCHEMBL720576

COCc1nn(-c2cccc(OC)c2)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NLRP3 Q96P20 1/20 0.49
ADORA3 P0DMS8 2/20 0.42
ADORA1 P30542 2/20 0.42
NOTUM Q6P988 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL717894 0.88 MEN1 (0.50) MEN1KMT2ANLRP3ADORA3ADORA1
SCHEMBL719455 0.85 MEN1 (0.55) MEN1KMT2ANLRP3ADORA3RAB9A
SCHEMBL716404 0.85 KMT2A (0.54) MEN1KMT2ANLRP3LMNARAB9A
SCHEMBL718967 0.81 MEN1 (0.53) MEN1KMT2ANLRP3ADORA3ADORA1
SCHEMBL718353 0.79 KMT2A (0.52) MEN1KMT2AADORA3ADORA1LMNA
SCHEMBL719685 0.78 HSD17B10 (0.59) MEN1KMT2AADORA3ADORA1NOTUM
SCHEMBL719895 0.78 MEN1 (0.50) MEN1KMT2ANLRP3ADORA3ADORA1
SCHEMBL719353 0.78 NOTUM (0.48) MEN1KMT2ANLRP3NOTUMHSD17B10
SCHEMBL2557532 0.77 MEN1 (0.52) MEN1KMT2ANLRP3ADORA3ADORA1
SCHEMBL27834359 0.75 ALDH1A1 (0.45) MEN1KMT2ANLRP3ADORA3ADORA1

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 MEN1 444/4885KMT2A 1298/4885NLRP3 1630/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NLRP3 1630/4885

“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.