SCHEMBL5014445

SCHEMBL5014445

NOCc1ccc(-n2cnnn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.54
EGLN1 Q9GZT9 5/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
KCNH2 Q12809 3/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL18216593 0.85 KCNJ1 (0.54) KCNJ1EGLN1MAPTKCNH2
SCHEMBL16906421 0.83 KCNJ1 (0.58) KCNJ1POLBBLMTDP1MAPT
SCHEMBL14075471 0.81 KCNJ1 (0.50) KCNJ1EGLN1MAPTKCNH2
SCHEMBL16897518 0.80 KCNJ1 (0.58) KCNJ1MAPTKCNH2NOTUM
SCHEMBL16869148 0.80 KCNJ1 (0.58) KCNJ1POLBBLMTDP1MAPT
SCHEMBL15018359 0.79 KCNJ1 (0.61) KCNJ1MAPTKCNH2
SCHEMBL2731445 0.77 KCNJ1 (0.68) KCNJ1KCNH2
SCHEMBL2730624 0.77 KCNJ1 (0.55) KCNJ1MAPTKCNH2
SCHEMBL16101269 0.76 KCNJ1 (0.57) KCNJ1KCNH2NOTUM
SCHEMBL2729427 0.75 KCNJ1 (0.58) KCNJ1KCNH2

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 KCNJ1 2434/4885EGLN1 1655/4885POLB 3429/4885

“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.