SCHEMBL10071794

SCHEMBL10071794

CCC(C)(C)NCCNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HTR2A P28223 2/20 0.44
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL19750850 0.87 CHRM2 (0.62) CHRM2MEN1KMT2ACA12CA1
SCHEMBL11597593 0.83 CHRM2 (0.79) CHRM2MEN1KMT2ACA12CA1
SCHEMBL24002152 0.82 CHRM2 (0.68) CHRM2MEN1KMT2ACA12CA1
SCHEMBL1290510 0.80 CHRM2 (0.70) CHRM2MEN1KMT2ACA12CA1
SCHEMBL9969496 0.79 CHRM2 (0.64) CHRM2MEN1KMT2ACA12CA1
SCHEMBL16433381 0.79 CHRM2 (0.68) CHRM2MEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL21879604 0.79 CHRM2 (0.68) CHRM2MEN1KMT2ACA12CA1
SCHEMBL3117616 0.77 CHRM2 (0.76) CHRM2MEN1KMT2ACA12CA1
SCHEMBL1803792 0.76 CHRM2 (0.64) CHRM2MEN1KMT2ACA12CA1
SCHEMBL628651 0.76 CHRM2 (0.72) CHRM2MEN1KMT2ACA12CA1

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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 CHRM2 4504/4885MEN1 1703/4885KMT2A 3610/4885

“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.