SCHEMBL6802188

SCHEMBL6802188

O=C(Nc1ccc2c(c1)CCN2CCc1ccncc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 11/20 0.52
APOB P04114 9/20 0.52
SMO Q99835 2/20 0.51
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
FLT1 P17948 3/20 0.45
KDR P35968 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6663893 0.92 APOB (0.45) MTTPAPOBSMOKDM4EGAA
SCHEMBL6799860 0.89 SMO (0.61) MTTPAPOBSMOKDM4EGAA
SCHEMBL6804946 0.86 SMO (0.49) MTTPAPOBSMOKDM4EGAA
SCHEMBL6804178 0.85 MTTP (0.52) MTTPAPOBSMOKDM4EGAA
SCHEMBL6804857 0.84 SMO (0.64) MTTPAPOBSMOKDM4EGAA
SCHEMBL6803431 0.84 SMO (0.60) MTTPAPOBSMOKDM4EGAA
SCHEMBL6804684 0.82 SMO (0.61) MTTPAPOBSMOKDM4EGAA
SCHEMBL6665241 0.81 SMO (0.52) MTTPAPOBSMOKDM4EALDH1A1
SCHEMBL6805186 0.80 MTTP (0.49) MTTPAPOBSMOKDM4EGAA
SCHEMBL6666569 0.80 SMO (0.44) MTTPAPOBSMOKDR

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 108/4885APOB 1/4885SMO 4390/4885

“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.