SCHEMBL2857664

SCHEMBL2857664

CC1CCc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PNMT P11086 6/20 0.51
ADRA2A P08913 5/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
GAA P10253 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
GRIN2B Q13224 2/20 0.41
CHRNA7 P36544 1/20 0.41
HTT P42858 1/20 0.41
TDP2 O95551 1/20 0.39

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
SCHEMBL4429953 0.89 PNMT (0.52) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL6968655 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL257552 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL10270869 0.82 SIRT2 (0.47) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL7456470 0.81 PNMT (0.56) PNMTADRA2AADRA2BADRA2CSIRT2
SCHEMBL6195263 0.79 SIRT2 (0.45) PNMTADRA2AADRA2BADRA2CSIRT2
SCHEMBL27799204 0.79 SIRT2 (0.45) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL6197463 0.78 PNMT (0.54) PNMTADRA2AADRA2BADRA2CSIRT2
SCHEMBL2776754 0.76 PNMT (0.42) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL28431711 0.74 SIRT2 (0.43) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US disclosed
US-7727980-B2 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 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-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA ALDH1A1 1403/4885SMN1; SMN2 4879/4885PNMT 769/4885

“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.