SCHEMBL5717709

SCHEMBL5717709

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.75
SLC7A5 Q01650 1/20 0.75
HRH4 Q9H3N8 3/20 0.58
HRH3 Q9Y5N1 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
LMNA P02545 1/20 0.56
APEX1 P27695 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL5497653 1.00 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL18878769 1.00 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27719660 0.98 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27646598 0.94 CYP3A4 (0.88) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL137600 0.86 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL19974306 0.86 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL3260 0.86 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL30852263 0.86 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
D-Histidine SCHEMBL288043 0.86 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL388560 0.86 CYP3A4 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016168568-A1 DERIVATIVES OF AMPHOTERICIN B Revolution Medicines, Inc. (US) 2016-10-20 WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 CYP3A4 341/4885SLC7A5 3779/4885HRH4 1045/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 CYP3A4 341/4885SLC7A5 3779/4885HRH4 1045/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 CYP3A4 500/4885SLC7A5 3409/4885HRH4 1500/4885

“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.