SCHEMBL719455

SCHEMBL719455

COCc1nn(-c2ccc(OC)cc2)cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NLRP3 Q96P20 1/20 0.55
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA3 P0DMS8 5/20 0.40
MIF P14174 1/20 0.40
PTGS2 P35354 2/20 0.40
P2RX7 Q99572 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MAPKAPK2 P49137 2/20 0.38

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
SCHEMBL718659 0.87 MEN1 (0.56) MEN1KMT2ANLRP3RAB9APOLB
SCHEMBL717944 0.86 MEN1 (0.42) MEN1KMT2ANLRP3POLBL3MBTL1
SCHEMBL716404 0.86 KMT2A (0.54) MEN1KMT2ANLRP3RAB9APOLB
SCHEMBL720576 0.85 MEN1 (0.49) MEN1KMT2ANLRP3RAB9APOLB
SCHEMBL718901 0.80 MEN1 (0.60) MEN1KMT2ANLRP3RAB9APOLB
SCHEMBL724099 0.78 SMN1; SMN2 (0.50) MEN1KMT2ANLRP3ALDH1A1
SCHEMBL719452 0.77 L3MBTL1 (0.58) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL719988 0.76 MEN1 (0.56) MEN1KMT2ANLRP3RAB9APOLB
SCHEMBL27834359 0.76 ALDH1A1 (0.45) MEN1KMT2ANLRP3RAB9ANPC1
SCHEMBL2555928 0.75 MEN1 (0.59) MEN1KMT2ANLRP3RAB9AL3MBTL1

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.