SCHEMBL6803496

SCHEMBL6803496

O=CNc1nc(CC(=O)N2CCc3cc(NC(=O)c4ccccc4-c4ccc(Cl)cc4)ccc32)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.44
WNK1 Q9H4A3 1/20 0.44
AVPR2 P30518 4/20 0.43
AVPR1A P37288 5/20 0.41
MAPT P10636 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KLK7 P49862 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38

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
SCHEMBL6800199 0.93 MAPT (0.44) AVPR2AVPR1AMAPTRXFP1NPC1
SCHEMBL6800495 0.91 MTTP (0.47) MAPTALDH1A1LMNATP53
SCHEMBL6801577 0.91 MAPT (0.43) AVPR2AVPR1AMAPTNPC1ALDH1A1
SCHEMBL6808866 0.89 SLC12A2 (0.46) SLC12A2WNK1AVPR2AVPR1AMAPT
SCHEMBL6801575 0.85 MAPT (0.53) SLC12A2WNK1AVPR2AVPR1AMAPT
SCHEMBL6670037 0.84 AVPR2 (0.43) AVPR2AVPR1AMAPTNPC1ALDH1A1
SCHEMBL6668952 0.84 LMNA (0.41) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6804640 0.83 SMO (0.50) AVPR2AVPR1AMAPTRXFP1LMNA
SCHEMBL6798990 0.82 MAPT (0.43) AVPR2AVPR1AMAPTRXFP1NPC1
SCHEMBL6804824 0.82 CASP3 (0.49) AVPR2AVPR1AMAPTRXFP1NPC1

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 SLC12A2 1219/4885WNK1 3817/4885AVPR2 837/4885

“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.