SCHEMBL718323

SCHEMBL718323

COc1ccc(-n2cc(C=O)c(C3CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NLRP3 Q96P20 1/20 0.54
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 3/20 0.40
ADORA3 P0DMS8 4/20 0.40
P2RX7 Q99572 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL718901 0.79 MEN1 (0.60) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL717913 0.76 L3MBTL1 (0.56) MEN1KMT2AALDH1A1ADORA3L3MBTL1
SCHEMBL719988 0.75 MEN1 (0.56) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL718659 0.75 MEN1 (0.56) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL2555928 0.74 MEN1 (0.59) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL719455 0.74 MEN1 (0.55) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL23392554 0.72 KMT2A (0.79) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL11245524 0.71 MEN1 (0.77) MEN1KMT2ANLRP3PTGS2POLB
SCHEMBL12948505 0.71 PTGS2 (0.80) MEN1KMT2ANLRP3ALDH1A1PTGS2
SCHEMBL11258989 0.70 KMT2A (1.00) MEN1KMT2ANLRP3ALDH1A1PTGS2

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.