SCHEMBL18162806

SCHEMBL18162806

CC(=O)[C@H](N)Cc1cnc[nH]1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.73
SLC7A5 Q01650 1/20 0.73
HRH4 Q9H3N8 3/20 0.61
HRH3 Q9Y5N1 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
LMNA P02545 1/20 0.59
APEX1 P27695 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL7962292 1.00 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL13609239 1.00 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27738090 0.87 CYP3A4 (0.90) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL28093400 0.85 CYP3A4 (0.93) CYP3A4SLC7A5HRH4HRH3ALDH1A1
D-Histidine SCHEMBL288043 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL19974306 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL388560 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL3260 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5497653 0.84 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5717709 0.84 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283171-B1 DERIVATIVES OF AMPHOTERICIN B SFUNGA THERAPEUTICS INC (US) 2021-05-26 EP disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 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-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 CYP3A4 160/4885SLC7A5 2134/4885HRH4 800/4885

“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.