SCHEMBL6805320

SCHEMBL6805320

O=C(Nc1ccc2c(c1)ncn2CCCc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.55
MTTP P55157 11/20 0.46
APOB P04114 6/20 0.44
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL6806268 0.94 SMO (0.56) SMOMTTPAPOBTRPV1KDM4E
SCHEMBL6667324 0.91 SMO (0.45) SMOKDM4ENPC1ALDH1A1TP53
SCHEMBL6808490 0.90 SMO (0.58) SMOMTTPAPOBTRPV1
SCHEMBL6809534 0.87 SMO (0.48) SMOMTTPAPOBKDM4ENPC1
Hydrochloric Acid SCHEMBL6668967 0.85 HDAC1 (0.46) SMOKDM4ENPC1ALDH1A1TP53
SCHEMBL6804665 0.83 SMO (0.56) SMOMTTPAPOBTRPV1KDM4E
SCHEMBL6802666 0.82 SMO (0.57) SMOMTTPAPOBTRPV1KDM4E
SCHEMBL6919444 0.82 SMO (0.54) SMOMTTPAPOBTRPV1
SCHEMBL6793814 0.80 SMO (0.59) SMOMTTPAPOBTRPV1ALDH1A1
SCHEMBL6794354 0.80 SMO (0.61) SMOMTTPAPOBTRPV1HTT

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 4390/4885MTTP 108/4885APOB 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.