SCHEMBL720765

SCHEMBL720765

COC(=O)c1ccc(NC(c2oc3ccc([N+](=O)[O-])cc3c2C)C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PGR P06401 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 3/20 0.39
HIF1A Q16665 2/20 0.39
NPC1 O15118 3/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL718539 0.91 PIN1 (0.44) MEN1KMT2APGRL3MBTL1HTT
SCHEMBL14905708 0.84 NPC1 (0.48) MEN1KMT2AL3MBTL1HTTNPC1
SCHEMBL716525 0.82 HIF1A (0.38) MEN1KMT2APGRL3MBTL1HTT
SCHEMBL720543 0.78 NPC1 (0.52) MEN1KMT2AL3MBTL1NPC1POLB
SCHEMBL721439 0.76 NPC1 (0.51) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL721148 0.76 NPC1 (0.40) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL719390 0.76 NPC1 (0.45) MEN1KMT2AHTTNPC1POLB
SCHEMBL716365 0.76 NPC1 (0.40) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL721946 0.75 RCE1 (0.44) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL717478 0.75 MAPT (0.35) MEN1KMT2APGRHTTHIF1A

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 1298/4885PGR 3412/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885PGR 3412/4885

“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.