SCHEMBL13699679

SCHEMBL13699679

NC(=O)c1oc2cc([N+](=O)[O-])ccc2c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
TDO2 P48775 1/20 0.41
LMNA P02545 2/20 0.41
NT5E P21589 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20534961 0.89 NPC1 (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL20535689 0.86 RAB9A (0.48) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL28052005 0.80 MEN1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL20534986 0.78 NPC1 (0.57) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL20535047 0.77 SLC9A1 (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2369946 0.75 HTT (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4257410 0.75 KDM4E (0.77) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL13699685 0.75 KDM4E (0.54) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL13699669 0.75 KDM4E (0.54) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL7703302 0.75 MEN1 (0.82) NPC1RAB9AKMT2AMEN1MAPT

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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F NPC1 3348/4885RAB9A 1928/4885KMT2A 2861/4885

“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.