SCHEMBL543413

SCHEMBL543413

CCn1cc2c(CO)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 2/20 0.37
ALOX12 P18054 1/20 0.37
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
MPO P05164 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL17778293 0.83 LOXL2 (0.40) ATMKDM4EALDH1A1HPGDTLR8
SCHEMBL15687386 0.80 MPO (0.51) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL543484 0.79 ATM (0.40) ATMKDM4EALDH1A1HPGDMAPT
SCHEMBL22573203 0.77 ALDH1A1 (0.38) ATMKDM4EALDH1A1HPGDTLR8
SCHEMBL27780630 0.77 FGFR1 (0.39) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL15687301 0.76 CYP1A2 (0.34) ATMKDM4EALDH1A1HPGDTLR8
SCHEMBL26156069 0.76 CYP1A2 (0.37) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL17682469 0.76 AR (0.39) ATMKDM4EALDH1A1HPGDTLR8
SCHEMBL29303418 0.76 TSHR (0.43) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL6118775 0.76 ALDH1A1 (0.41) ATMKDM4EALDH1A1HPGDTLR8

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
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN 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 ATM 3692/4885KDM4E 2179/4885ALDH1A1 1431/4885

“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.