SCHEMBL16468183

SCHEMBL16468183

COc1ccccc1OCCN(C(=O)O)C(c1cccc([N+](=O)[O-])c1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL16467904 0.87 MAPT (0.48) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL16468152 0.86 KMT2A (0.48) MAPTHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL16467893 0.86 CHRNB2 (0.49) MAPTHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL16468094 0.84 GAA (0.40) CYP1A2CYP3A4CYP2D6CYP2C9GAA
SCHEMBL16468172 0.83 CHRNB2 (0.50) MAPTHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL16467909 0.83 MTNR1A (0.43) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL16467855 0.83 CHRNB2 (0.49) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL16468501 0.82 CHRNB2 (0.48) MAPTHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL16468165 0.82 CHRNB2 (0.48) MAPTHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL16467913 0.80 ALDH1A1 (0.48) MAPTSMN1; SMN2RAB9ANPC1KMT2A

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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS MAPT 1506/4885HPGD 2298/4885CYP1A2 616/4885

“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.