SCHEMBL12620162

SCHEMBL12620162

COC(=O)c1ccc(Br)c2c1NCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ATM Q13315 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR4A2 P43354 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL12599964 0.83 KDM4E (0.38) KDM4EGAAGLAPARP10PARP11
SCHEMBL31417561 0.79 SOS1 (0.47) KDM4EATMCA1CA2CA9
SCHEMBL38658847 0.77 CA1 (0.42) KDM4EGAAGLAATMCA1
SCHEMBL29323701 0.77 KDM4E (0.36) KDM4EGAAGLAATMCA1
SCHEMBL18397725 0.74 SLC6A3 (0.40) KDM4EGAAGLAATMCA1
SCHEMBL5328082 0.74 PARP1 (0.53) KDM4EGAAGLAPARP1ABL1
SCHEMBL31488066 0.73 RXFP1 (0.46) PARP10PARP11CA1CA2CA9
SCHEMBL21955273 0.72 KDM4E (0.35) KDM4EGAAGLAATMCA1
SCHEMBL13181933 0.72 KDM4E (0.47) KDM4EGAAGLAPARP10PARP11
SCHEMBL10661545 0.72 KDM4E (0.45) KDM4EATMPOLBPARP1LMNA

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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 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-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 KDM4E 450/4885GAA 1003/4885GLA 3233/4885

“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.