SCHEMBL17181784

SCHEMBL17181784

Nc1nc([C@H](O)CO)ns1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL27704401 0.65 NPC1 (0.33) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL5396449 0.65
SCHEMBL8401638 0.61 HSD17B10 (0.39) NPC1RAB9AALDH1A1LMNA
SCHEMBL5401355 0.61 NPC1 (0.42) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL1263604 0.59
SCHEMBL2215220 0.59
SCHEMBL6002314 0.58
SCHEMBL6003356 0.58 ADORA3 (0.58) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL13034396 0.57 KMT2A (0.39) LMNA
SCHEMBL13034606 0.57 KMT2A (0.39) LMNA

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-20150299182-A1 CRYSTALLINE FORMS OF (1S)-1-[5-(AMINO)-1,2,4-THIADIAZOL-3-YL]ETHANE-1,2-DIOL AMGEN INC. (US) 2015-10-22 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 (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-20150299182-A1 CRYSTALLINE FORMS OF (1S)-1-[5-(AMINO)-1,2,4-THIADIAZOL-3-YL]ETHANE-1,2-DIOL SLC5A1, IAPP, PTGER1 NPC1 547/4885RAB9A 4474/4885ALDH1A1 434/4885

“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.