SCHEMBL10001286

SCHEMBL10001286

CC(=O)Nc1c(Nc2ccccc2)c2ccccc2oc1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
LMNA P02545 3/20 0.64
POLB P06746 2/20 0.64
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
GAA P10253 3/20 0.59
ALOX15 P16050 1/20 0.59
ALDH1A1 P00352 4/20 0.58
HTT P42858 4/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 2/20 0.56
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL28599779 0.80 POLB (0.71) SMN1; SMN2LMNAPOLBCYP1A2CYP2C19
SCHEMBL13744476 0.76 TSHR (0.72) SMN1; SMN2POLBCYP1A2CYP2C19ALOX15
SCHEMBL28535613 0.75 GAA (0.68) SMN1; SMN2LMNAGAAALOX15ALDH1A1
SCHEMBL2774243 0.75 TSHR (0.76) SMN1; SMN2LMNAPOLBCYP1A2CYP2C19
SCHEMBL28528468 0.74 GAA (0.62) SMN1; SMN2LMNAPOLBGAAALOX15
SCHEMBL28085545 0.73 MAOB (0.58) SMN1; SMN2CYP1A2CYP2C19GAAALOX15
SCHEMBL10372154 0.72 SMN1; SMN2 (0.57) SMN1; SMN2LMNAPOLBCYP1A2CYP2C19
SCHEMBL28527764 0.71 GAA (0.62) SMN1; SMN2LMNAGAAALOX15ALDH1A1
SCHEMBL20659868 0.71 TSHR (0.69) LMNAPOLBALOX15ALDH1A1HTT
SCHEMBL15832744 0.70 KMT2A (0.56) SMN1; SMN2LMNAPOLBCYP1A2CYP2C19

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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS UNIVERSITY OF GUELPH (CA) 2012-06-07 US disclosed
US-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS UNIVERSITY OF GUELPH (CA) 2012-06-07 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-20120142682-A1 ANTIVIRULENCE COMPOUNDS INHIBITING BACTERIAL MONO-ADP-RIBOSYLTRANSFERASE TOXINS TIPARP, CD38, PARP14 SMN1; SMN2 4357/4885LMNA 2960/4885POLB 701/4885

“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.