SCHEMBL12102476

SCHEMBL12102476

[C-]#[N+]c1cc([N+](=O)[O-])ccc1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
FBP1 P09467 1/20 0.38
CYP3A4 P08684 2/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 1/20 0.36
PKM P14618 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL841655 0.80 TSHR (0.46) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL18402915 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL13248046 0.78 POLB (0.49) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL3032856 0.78 CYP1A2 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL22664416 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL9607638 0.74 POLB (0.49) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL29954598 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TDP1TSHRLMNA
SCHEMBL10966874 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TDP1TSHRLMNA
SCHEMBL11335572 0.73 GABRA1 (0.54) ALDH1A1SMN1; SMN2TSHRLMNAHTT
SCHEMBL17449717 0.73 HSD17B10 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 MEN1 1793/4885KMT2A 4470/4885ALDH1A1 842/4885

“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.