SCHEMBL16468152

SCHEMBL16468152

COc1ccccc1CCN(C(=O)O)C(c1cccc([N+](=O)[O-])c1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MAPT P10636 7/20 0.48
MEN1 O00255 7/20 0.48
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 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
SCHEMBL16468183 0.86 MAPT (0.45) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL16467913 0.83 ALDH1A1 (0.48) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL16467889 0.83 HTT (0.43) KMT2AMAPTMEN1CYP1A2CYP2C19
SCHEMBL16467928 0.80 KMT2A (0.46) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL16467904 0.80 MAPT (0.48) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL16468420 0.79 L3MBTL1 (0.43) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL16467924 0.79 L3MBTL1 (0.43) KMT2AMAPTMEN1CYP1A2CYP2C19
SCHEMBL16467893 0.79 CHRNB2 (0.49) KMT2AMAPTMEN1HPGDALDH1A1
SCHEMBL16468174 0.78 L3MBTL1 (0.47) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL2596250 0.77 ALDH1A1 (0.42) MAPTCYP1A2CYP2C19CYP2C9GAA

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 KMT2A 896/4885MAPT 1506/4885MEN1 2136/4885

“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.