SCHEMBL13643272

SCHEMBL13643272

COC1=C(C)C(C2CCCCC2)N(c2ccc3nc[nH]c3c2)OC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.38
▸ QPCT Q16769 12/20 0.36
▸ IP6K1 Q92551 1/20 0.35
▸ IP6K3 Q96PC2 1/20 0.35
▸ QPCTL Q9NXS2 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ HSD11B1 P28845 3/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 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
SCHEMBL12300587 0.87 QPCT (0.44) QPCTIP6K1
SCHEMBL12301392 0.87 QPCT (0.39) MMP12QPCTIP6K1QPCTL
SCHEMBL12300584 0.83 QPCT (0.40) QPCTQPCTL
SCHEMBL12299659 0.81 QPCT (0.42) MMP12QPCTQPCTL
SCHEMBL13643310 0.79 QPCT (0.51) QPCTIP6K1QPCTL
SCHEMBL12344414 0.77 QPCT (0.42) QPCTQPCTLHSD11B1
SCHEMBL12344548 0.76 QPCT (0.52) QPCTQPCTL
SCHEMBL12299666 0.76 QPCT (0.42) QPCTQPCTL
SCHEMBL2380742 0.75 QPCT (0.46) QPCTIP6K1IP6K3QPCTL
SCHEMBL13643286 0.74 QPCT (0.53) QPCTQPCTL

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-20120283259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2012-11-08 — — 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-20120283259-A1 NOVEL INHIBITORS GLUL, QPCT, GLS MMP12 3622/4885QPCT 2/4885IP6K1 2750/4885

“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.

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