SCHEMBL6804642

SCHEMBL6804642

Nc1nc(CC(=O)N2CCc3cc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)ccc32)cs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 16/20 0.47
SMO Q99835 1/20 0.47
APOB P04114 9/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6806284 0.93 RIPK1 (0.43) MTTPSMOAPOBLMNATP53
SCHEMBL6804506 0.91 MTTP (0.48) MTTPSMOAPOBLMNATP53
SCHEMBL6802265 0.91 RIPK1 (0.42) MTTPSMOAPOBLMNATP53
SCHEMBL6808866 0.90 SLC12A2 (0.46) LMNATP53ALDH1A1MAPT
SCHEMBL6803455 0.90 MAPT (0.44) LMNATP53ALDH1A1MAPT
SCHEMBL6800495 0.89 MTTP (0.47) MTTPSMOAPOBLMNATP53
SCHEMBL6803710 0.89 MTTP (0.42) MTTPSMOAPOBTP53ALDH1A1
SCHEMBL6803963 0.88 GAA (0.44) LMNATP53KDM4EALDH1A1GAA
SCHEMBL6667700 0.88 SMO (0.49) MTTPSMOAPOBLMNAKDM4E
SCHEMBL6804891 0.88 KDM4E (0.45) MTTPSMOAPOBLMNAKDM4E

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 MTTP 108/4885SMO 4390/4885APOB 1/4885

“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.