SCHEMBL718941

SCHEMBL718941

COC(=O)c1cn(-c2cccc(OC)c2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
ATM Q13315 1/20 0.45
NOTUM Q6P988 2/20 0.45
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL718166 0.87 KMT2A (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL721457 0.86 MAPT (0.54) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL719038 0.85 L3MBTL1 (0.62) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL716746 0.84 MAPT (0.69) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL718353 0.83 KMT2A (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL718881 0.83 KMT2A (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL720453 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL18039450 0.77 ELANE (0.48) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL720074 0.76 MAPT (0.45) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL720934 0.76 CA12 (0.59) ALDH1A1KMT2AL3MBTL1MEN1MAPT

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 ALDH1A1 504/4885KMT2A 1298/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885KMT2A 1298/4885L3MBTL1 4088/4885

“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.