SCHEMBL15929461

SCHEMBL15929461

CNC12CNCCNCC(NCc3ccc([N+](=O)[O-])cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
CHRM2 P08172 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 4/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL15928038 0.93 LOXL2 (0.46) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL15929703 0.92 LOXL2 (0.42) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL15928050 0.90 ACHE (0.47) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL15929419 0.90 MAPT (0.41) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL15913800 0.87 LOXL2 (0.44) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL15929441 0.80 TMEM97 (0.36) ALDH1A1RECQLHSD17B10MAPTKMT2A
SCHEMBL22236871 0.79 MEN1 (0.38) CHRM2ALDH1A1MAPTKMT2APOLB
SCHEMBL15929507 0.79 ALDH1A1 (0.38) LOXL2CHRM2PTPRFPTPN2PTPN1
SCHEMBL15929459 0.76 LOXL2 (0.36) LOXL2ALDH1A1RECQLMAPTLMNA
SCHEMBL15929435 0.74 MGLL (0.45) ALDH1A1MAPTLMNATDP1

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-20140219915-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2014-08-07 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-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 LOXL2 3192/4885CHRM2 2382/4885PTPRF 4137/4885

“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.