SCHEMBL16468420

SCHEMBL16468420

CC(C)(C)C(c1cccc([N+](=O)[O-])c1)N(CCc1cccc(O)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.40
OPRK1 P41145 9/20 0.39
OPRM1 P35372 7/20 0.39
OPRD1 P41143 7/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL16467924 0.90 L3MBTL1 (0.43) L3MBTL1HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL16468174 0.89 L3MBTL1 (0.47) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16467889 0.87 HTT (0.43) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16467913 0.84 ALDH1A1 (0.48) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16468172 0.84 CHRNB2 (0.50) L3MBTL1HTTSMN1; SMN2ALDH1A1ALOX15
SCHEMBL2596250 0.84 ALDH1A1 (0.42) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16467938 0.83 L3MBTL1 (0.41) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16468152 0.79 KMT2A (0.48) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16467928 0.79 KMT2A (0.46) L3MBTL1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL16467904 0.76 MAPT (0.48) L3MBTL1SMN1; SMN2ALDH1A1LMNAMEN1

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 L3MBTL1 1649/4885HTT 659/4885SMN1; SMN2 193/4885

“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.