SCHEMBL8278396

SCHEMBL8278396

COc1ccccc1Nc1nc2c(ccc3sc(N)nc32)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 10/20 0.56
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
GFER P55789 1/20 0.56
PDE5A O76074 1/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE1C Q14123 1/20 0.55
GAA P10253 8/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 9/20 0.51
HPGD P15428 3/20 0.51

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
SCHEMBL8278399 0.88 MEN1 (0.56) TDP1CYP3A4MAPTMEN1KMT2A
SCHEMBL8278402 0.86 MEN1 (0.54) TDP1CYP3A4MAPTMEN1KMT2A
SCHEMBL8277520 0.85 MAPT (0.57) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8277536 0.83 MAPT (0.50) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8277682 0.80 MAPT (0.50) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8277518 0.79 MAPT (0.57) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8277608 0.78 MAPT (0.50) TDP1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1818561 0.77 NPC1 (0.73) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8474003 0.77 MAPT (0.55) TDP1MAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6118629 0.77 MAPT (0.49) TDP1MAPTMEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 TDP1 365/4885CYP3A4 1883/4885MAPT 4816/4885

“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.