SCHEMBL12835342

SCHEMBL12835342

O=[N+]([O-])c1ccc(OCC2CO2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
DRD4 P21917 2/20 0.47
PDE7A Q13946 1/20 0.47
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11488932 0.89 PRMT5 (0.49) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL30125863 0.85 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3052249 0.85 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL30121999 0.84 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3701823 0.84 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20761098 0.83 TDP1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL5963778 0.83 S1PR4 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL5937140 0.83 PRMT5 (0.49) SMN1; SMN2ALDH1A1HPGDLMNACYP3A4
SCHEMBL2564892 0.83 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL23538192 0.83 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 WO 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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MAPT 2792/4885SMN1; SMN2 4278/4885ALDH1A1 1052/4885

“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.