SCHEMBL544004

SCHEMBL544004

COC(=O)c1c(Cl)ccc2nn(C)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
GLA P06280 1/20 0.41
PLA2G2A P14555 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 1/20 0.39
NOTUM Q6P988 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL21986694 0.84 MEN1 (0.41) KMT2APLA2G2AKDM4EALDH1A1HPGD
SCHEMBL544050 0.82 TSHR (0.39) KMT2AMAOAMAOBGLAKDM4E
SCHEMBL544148 0.82 MAOA (0.41) KMT2AMAOAMAOBPLA2G2AKDM4E
SCHEMBL3568981 0.79 KMT2A (0.39) KMT2AMAOAMAOBGLAPLA2G2A
SCHEMBL3576187 0.78 MAPT (0.40) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL3576193 0.78 MAPT (0.40) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL3577777 0.76 KDM4E (0.35) KMT2AKDM4EALDH1A1HPGDGAA
SCHEMBL3585644 0.74 TSHR (0.36) KMT2AGLAPLA2G2AKDM4EALDH1A1
SCHEMBL544331 0.73 KDM4E (0.43) KMT2AGLAKDM4EALDH1A1HPGD
SCHEMBL31082902 0.73 MET (0.41) KMT2AMAOAMAOBPLA2G2AKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 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 (1 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH KMT2A 908/4885MAOA 57/4885MAOB 38/4885

“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.