SCHEMBL3198407

SCHEMBL3198407

COC(=O)c1ccnc(-c2cccc3c(C)c(CBr)sc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
JMJD6 Q6NYC1 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
ROCK1 Q13464 2/20 0.41
PFKFB3 Q16875 3/20 0.40
PFKFB4 Q16877 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PDE10A Q9Y233 1/20 0.38
KDM1A O60341 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
SCHEMBL1856131 0.96 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1851302 0.91 KDM4E (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1849782 0.85 KDM4C (0.43) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3209831 0.81 ROCK1 (0.43) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1850776 0.79 KDM4C (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1851474 0.79 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1851004 0.78 KDM4E (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1855326 0.76 KDM4E (0.44) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1849813 0.75 PRKDC (0.44) SMN1; SMN2NPC1HPGDRAB9ATP53
SCHEMBL1853424 0.73 KDM4E (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 KDM4E 3467/4885KDM6B 3232/4885KDM5C 3021/4885

“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.