SCHEMBL543896

SCHEMBL543896

CCn1cc2c(C=O)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 2/20 0.36
PABPC1 P11940 1/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.34
IMPDH2 P12268 1/20 0.33
THRB P10828 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
SCHEMBL21631614 0.81 PTPN11 (0.37) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL544070 0.78 MEN1 (0.41) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL544150 0.78 MAT2A (0.32) SMN1; SMN2KDM4EHTTALDH1A1TSHR
SCHEMBL22573203 0.76 ALDH1A1 (0.38) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL17682469 0.75 AR (0.39) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL29303418 0.75 TSHR (0.43) SMN1; SMN2KDM4EMEN1KMT2AHTT
SCHEMBL6118775 0.75 ALDH1A1 (0.41) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL26156069 0.75 CYP1A2 (0.37) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL24743746 0.72 MPO (0.40) KDM4ELMNAALDH1A1TSHRHPGD
SCHEMBL27780630 0.72 FGFR1 (0.39) SMN1; SMN2KDM4ERAB9AMAPTALDH1A1

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 10 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
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 SMN1; SMN2 1317/4885KDM4E 2179/4885LMNA 339/4885

“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.