SCHEMBL6804937

SCHEMBL6804937

O=C(Nc1ccc2c(c1)NCCN2CCc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.56
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
APOB P04114 10/20 0.44
MTTP P55157 10/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL6804015 0.92 SMO (0.47) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6802807 0.88 SMO (0.54) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6799860 0.87 SMO (0.61) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6805661 0.87 SMO (0.55) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6803431 0.86 SMO (0.60) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6804684 0.86 SMO (0.61) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6635669 0.83 HTR2A (0.45) SMO
SCHEMBL6699257 0.80 SMO (0.60) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6804857 0.80 SMO (0.64) SMOKDM4EGAAALDH1A1LMNA
SCHEMBL6665241 0.80 SMO (0.52) SMOKDM4EALDH1A1LMNAMAPT

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 SMO 4390/4885KDM4E 2600/4885GAA 2694/4885

“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.