SCHEMBL12190068

SCHEMBL12190068

C/C=C\C(=O)Nc1ccc(N(CC)CC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ PLK1 P53350 1/20 0.58
▸ RAB9A P51151 5/20 0.57
▸ NOX1 Q9Y5S8 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ POLB P06746 2/20 0.54
▸ MCL1 Q07820 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ NR4A1 P22736 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50

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
SCHEMBL12172762 0.85 NR4A1 (0.71) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL10361953 0.83 NR4A1 (0.73) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL1262239 0.81 TGM2 (0.61) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL283513 0.77 MMP1 (0.51) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4950655 0.77 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6587982 0.77 NMT1 (0.70) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL3200856 0.77 MAPT (0.67) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL26034043 0.77 NMT1 (0.70) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5175946 0.77 MAPT (0.67) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL13675894 0.76 TRPV1 (0.67) MAPTMEN1KMT2ASMN1; SMN2TDP1

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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MAPT 2792/4885MEN1 2365/4885KMT2A 1142/4885

“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.

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