SCHEMBL3900730

SCHEMBL3900730

COc1c(OCc2ccccc2)ccc([N+](=O)[O-])c1/C=C/[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
HTT P42858 3/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
NSD2 O96028 1/20 0.47
HSP90AA1 P07900 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL3900738 1.00 MAPT (0.59) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9315352 0.91 MAPT (0.56) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9315348 0.91 MAPT (0.56) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL3898843 0.88 HTR1A (0.52) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9314491 0.87 LMNA (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9314488 0.87 LMNA (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL21799239 0.83 PRMT1 (0.60) MAPTLMNASMN1; SMN2HTTNPSR1
SCHEMBL21799238 0.83 PRMT1 (0.60) MAPTLMNASMN1; SMN2HTTNPSR1
SCHEMBL9314170 0.82 MAPT (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9314174 0.82 MAPT (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MAPT 4806/4885LMNA 3948/4885SMN1; SMN2 4279/4885

“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.