SCHEMBL6801577

SCHEMBL6801577

COc1ccc(-c2ccccc2C(=O)Nc2ccc3c(c2)CCN3C(=O)Cc2csc(NC=O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
AVPR2 P30518 3/20 0.42
AVPR1A P37288 2/20 0.42
AVPR1B P47901 1/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TP53 P04637 1/20 0.41
KLK7 P49862 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6670037 0.92 AVPR2 (0.43) MAPTGAAPOLBAVPR2AVPR1A
SCHEMBL6800199 0.92 MAPT (0.44) MAPTPOLBAVPR2AVPR1AAVPR1B
SCHEMBL6803496 0.91 SLC12A2 (0.44) MAPTAVPR2AVPR1ARAB9ASMN1; SMN2
SCHEMBL6803963 0.89 GAA (0.44) MAPTGAAPOLBAVPR2AVPR1A
SCHEMBL6800495 0.89 MTTP (0.47) MAPTGAAALDH1A1TP53KDM4E
SCHEMBL6801575 0.84 MAPT (0.53) MAPTGAAPOLBAVPR2AVPR1A
SCHEMBL6802195 0.83 EIF2AK3 (0.49) MAPTGAAPOLBAVPR2AVPR1A
SCHEMBL6804796 0.83 GAA (0.46) MAPTGAAPOLBAVPR2AVPR1A
SCHEMBL6668952 0.82 LMNA (0.41) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6798990 0.82 MAPT (0.43) MAPTPOLBAVPR2AVPR1AAVPR1B

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 MAPT 4047/4885GAA 2694/4885POLB 1962/4885

“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.