SCHEMBL9964796

SCHEMBL9964796

Cc1nc(-c2ccc(-c3ccc4c(c3)C[C@H]3[C@H](COP(=O)(O)O)OC(=O)N43)cn2)no1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
HPRT1 P00492 1/20 0.31
TYMS P04818 1/20 0.31
P2RX3 P56373 1/20 0.31
DGAT1 O75907 1/20 0.31
NR1I2 O75469 1/20 0.31
HCRTR2 O43614 2/20 0.30
HCRTR1 O43613 1/20 0.30
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL14069650 0.88 KCNH2 (0.37) KCNH2DGAT1NR1I2
SCHEMBL13429785 0.87 KCNH2 (0.37) KCNH2P2RX3DGAT1NR1I2HCRTR2
SCHEMBL13424166 0.85 KCNH2 (0.39) KCNH2HPRT1TYMS
SCHEMBL13429487 0.84 MAOA (0.42) KCNH2HPRT1HCRTR2HCRTR1
SCHEMBL9964851 0.83 KCNH2 (0.51) KCNH2DGAT1
SCHEMBL9964852 0.83 KCNH2 (0.37) KCNH2HPRT1TYMS
SCHEMBL13430148 0.83 KCNH2 (0.38) KCNH2HPRT1TYMS
SCHEMBL13429500 0.82 KCNH2 (0.40) KCNH2HPRT1TYMS
SCHEMBL13430096 0.82 KCNH2 (0.37) KCNH2HPRT1
SCHEMBL13430069 0.80 KCNH2 (0.39) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNH2 1295/4885HPRT1 279/4885TYMS 284/4885

“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.