SCHEMBL6346233

SCHEMBL6346233

CC(OCc1ccccc1)C(=O)NC(=O)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PSMB5 P28074 1/20 0.41
CTSK P43235 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL6354865 0.93 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL18381513 0.81 SLC1A3 (0.53) ALDH1A1NPC1RAB9ASLC1A3SLC1A2
SCHEMBL26963671 0.81 SLC1A3 (0.53) ALDH1A1NPC1RAB9ASLC1A3SLC1A2
SCHEMBL376695 0.81 SLC1A3 (0.53) ALDH1A1NPC1RAB9ASLC1A3SLC1A2
SCHEMBL583986 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL583985 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL2821271 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL14336343 0.79 LTA4H (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL13555325 0.79 LTA4H (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2SLC1A3
SCHEMBL12848459 0.77 PSMB5 (0.48) ALDH1A1NPC1RAB9ASLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894047-B2 Triazine compounds useful as sorbitol dehydrogenase inhibitors PFIZER INC. (US) 2005-05-17 US disclosed
US-20030004166-A1 Novel triazine compounds useful as sorbitol dehydrogenase inhibitors PFIZER INC. 2003-01-02 US disclosed
EP-1247809-A2 Triazine compounds useful as sorbitol dehydrogenase inhibitors Pfizer Products Inc. (US) 2002-10-09 EP 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-20030004166-A1 Novel triazine compounds useful as sorbitol dehydrogenase inhibitors SLC5A1, SLC5A2, ADH5 ALDH1A1 36/4885NPC1 454/4885RAB9A 4187/4885

“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.