SCHEMBL6353049

SCHEMBL6353049

[CH2]CNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.64
PTPRF P10586 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN11 Q06124 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA12 O43570 1/20 0.53
CA4 P22748 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TSHR P16473 1/20 0.48
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL628651 0.88 CHRM2 (0.72) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL11597593 0.84 CHRM2 (0.79) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL17187969 0.81 CHRM2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL1041853 0.81 MEN1 (0.69) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL1803792 0.81 CHRM2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL22749543 0.80 CHRM2 (0.58) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL6246420 0.80 CHRM2 (0.58) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL10045277 0.79 CHRM2 (0.90) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL3155876 0.79 CYP1A2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11
Hydrochloric Acid SCHEMBL8365207 0.79 CHRM2 (0.62) CHRM2PTPRFPTPN2PTPN1PTPN11

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-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CHRM2 3245/4885PTPRF 1482/4885PTPN2 1883/4885

“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.