SCHEMBL718967

SCHEMBL718967

COc1cccc(-n2cc(C=O)c(C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NLRP3 Q96P20 1/20 0.53
NOTUM Q6P988 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
LMNA P02545 2/20 0.44
ADORA2A P29274 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS2 P35354 1/20 0.42
MGLL Q99685 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL717781 0.87 MEN1 (0.50) MEN1KMT2ANLRP3LMNAPTGS2
SCHEMBL718901 0.84 MEN1 (0.60) MEN1KMT2ANLRP3ADORA3LMNA
SCHEMBL718810 0.82 PKM (0.44) MEN1KMT2ANLRP3NOTUMCYP1A2
SCHEMBL717894 0.82 MEN1 (0.50) MEN1KMT2ANLRP3NOTUMADORA3
SCHEMBL719895 0.82 MEN1 (0.50) MEN1KMT2ANLRP3NOTUMADORA3
SCHEMBL2557532 0.81 MEN1 (0.52) MEN1KMT2ANLRP3NOTUMADORA3
SCHEMBL720576 0.81 MEN1 (0.49) MEN1KMT2ANLRP3NOTUMADORA3
SCHEMBL124501 0.81 POLB (0.48) MEN1KMT2ANLRP3NOTUMADORA3
SCHEMBL718346 0.80 NOTUM (0.46) MEN1KMT2ANLRP3NOTUMADORA3
SCHEMBL719535 0.80 PTGS2 (0.63) MEN1KMT2ANLRP3LMNAPTGS2

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.