SCHEMBL5740825

SCHEMBL5740825

CCS(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MGAM O43451 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
SMO Q99835 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 1/20 0.46
CCKAR P32238 1/20 0.46
FLT3 P36888 1/20 0.46
BCAT1 P54687 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL5750987 0.86 KDM4E (0.57) NPC1RAB9AALDH1A1MAPK1LMNA
SCHEMBL19476165 0.81 NPC1 (0.64) NPC1RAB9AALDH1A1MAPK1LMNA
SCHEMBL12368167 0.78 MEN1 (0.60) NPC1RAB9AALDH1A1MAPK1RXFP1
SCHEMBL5730899 0.77 ALDH1A1 (0.57) NPC1RAB9AALDH1A1RXFP1LMNA
SCHEMBL14592325 0.77 NPC1 (0.56) NPC1RAB9AALDH1A1MAPK1LMNA
SCHEMBL19476159 0.75 NPC1 (0.70) NPC1RAB9AALDH1A1RXFP1LMNA
SCHEMBL10891943 0.75 KMT2A (0.58) ALDH1A1MAPK1RXFP1LMNASMN1; SMN2
SCHEMBL27336120 0.75 RAB9A (0.73) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL19476098 0.74 NPC1 (0.64) NPC1RAB9AALDH1A1MAPK1LMNA
SCHEMBL5739687 0.73 TP53 (0.53) NPC1RAB9AALDH1A1RXFP1SMN1; SMN2

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
EP-1633709-A1 ANTI-DIABETIC AGENTS Pfizer Products Inc. (US) 2006-03-15 EP disclosed
WO-2004096768-A1 ANTI-DIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220229-A1 insulin resistance; central nervous system disorders; vision defects; anticholesterol agents;antilipemic agents; antiischemic agents PFIZER INC 2004-11-04 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-20040220229-A1 insulin resistance; central nervous system disorders; vision defects; anticholesterol agents;antilipemic agents; antiischemic agents IRS1, INSR, GPR119 NPC1 15/4885RAB9A 1321/4885ALDH1A1 1121/4885

“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.