SCHEMBL5004375

SCHEMBL5004375

NC(=O)c1ccccc1[CH]C(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MGLL Q99685 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5665570 0.78 AURKA (0.43) KDM4ERAB9AHPGDALDH1A1LMNA
SCHEMBL14655997 0.77 POLB (0.40) KDM4ENPC1ALDH1A1MGLL
SCHEMBL5349455 0.76 SMN1; SMN2 (0.67) HPGDALDH1A1SMN1; SMN2GAATP53
SCHEMBL4631793 0.75 KDM4E (0.54) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL30281137 0.75 MGLL (0.63) KDM4EHPGDALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL17559454 0.75 SMN1; SMN2 (0.65) HPGDALDH1A1SMN1; SMN2GAATP53
SCHEMBL4049634 0.74 RAB9A (0.71) KDM4ERAB9ANPC1HPGDALDH1A1
SCHEMBL5433733 0.74 KDM5A (0.39) ALDH1A1GAA
SCHEMBL1515606 0.73 ALDH1A1 (0.52) KDM4ERAB9ANPC1HPGDALDH1A1
SCHEMBL1662914 0.71 GAA (0.59) HPGDALDH1A1SMN1; SMN2GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 US claimed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 US disclosed
EP-1578725-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
WO-2004056777-A1 MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040132745-A1 Microsomal triglyceride transfer protein inhibitor PFIZER INC 2004-07-08 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 (2 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-20040132745-A1 Microsomal triglyceride transfer protein inhibitor MTTP, CETP, APOB KDM4E 3437/4885RAB9A 3807/4885NPC1 27/4885
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN KDM4E 3678/4885RAB9A 1687/4885NPC1 32/4885

“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.