SCHEMBL544331

SCHEMBL544331

COC(=O)c1ccc(Cl)c2nn(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 5/20 0.41
GLA P06280 1/20 0.41
NR4A2 P43354 3/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABL1 P00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADCY10 Q96PN6 1/20 0.38
HPGD P15428 1/20 0.37
NOTUM Q6P988 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 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
SCHEMBL30969230 0.84 KDM4E (0.44) KDM4EKMT2ANR4A2MAPTALDH1A1
SCHEMBL544020 0.82 KDM4E (0.43) KDM4EKMT2ANR4A2MAPTALDH1A1
SCHEMBL25103104 0.77 KDM4E (0.40) KDM4EKMT2ANR4A2MAPTALDH1A1
SCHEMBL27802047 0.73 KDM4E (0.49) KDM4EKMT2AGLAMAPTALDH1A1
SCHEMBL544004 0.73 KMT2A (0.41) KDM4EKMT2AGLANR4A2ALDH1A1
SCHEMBL27802072 0.73 KMT2A (0.40) KDM4EKMT2AGLAMAPTALDH1A1
SCHEMBL543378 0.73 NR4A2 (0.45) KDM4EKMT2ANR4A2MAPTALDH1A1
SCHEMBL27351594 0.73 ADCY10 (0.43) KDM4EKMT2AGLANR4A2MAPT
SCHEMBL3503003 0.72 KDM4E (0.71) KDM4EMAPTBRD4LMNASMN1; SMN2
SCHEMBL25104259 0.71 KDM4E (0.46) KDM4EKMT2ANR4A2MAPTALDH1A1

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 8 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

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 KDM4E 2179/4885KMT2A 908/4885GLA 1974/4885

“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.