SCHEMBL256313

SCHEMBL256313

CCOc1ccc(-c2ccc(CCNC(C)=O)cn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.66
MAPT P10636 5/20 0.61
RAB9A P51151 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
THRB P10828 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
LMNA P02545 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47

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
SCHEMBL12001427 0.85 ACACB (0.79) ACACBMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12475741 0.84 ACACB (0.86) ACACBMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11998877 0.80 ACACB (1.00) ACACB
SCHEMBL9620900 0.80 RAB9A (0.81) MAPTRAB9AL3MBTL1THRBSMN1; SMN2
SCHEMBL255805 0.78 ACACB (1.00) ACACBMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9620940 0.77 RAB9A (0.91) MAPTRAB9AL3MBTL1THRBSMN1; SMN2
SCHEMBL10554231 0.77 RAB9A (0.76) MAPTRAB9AL3MBTL1THRBSMN1; SMN2
SCHEMBL10553681 0.77 RAB9A (0.76) MAPTRAB9AL3MBTL1THRBSMN1; SMN2
SCHEMBL10558713 0.77 RAB9A (0.72) MAPTRAB9AL3MBTL1THRBSMN1; SMN2
SCHEMBL10561035 0.77 RAB9A (0.76) MAPTRAB9AL3MBTL1THRBSMN1; SMN2

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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885MAPT 1497/4885RAB9A 2480/4885

“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.