SCHEMBL6444116

SCHEMBL6444116

CN(CC([O])=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.50
ACHE P22303 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL304452 0.86 RAB9A (0.55) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL3106474 0.84 RAB9A (0.53) RAB9ANPC1CA12CA9ALDH1A1
Hydrochloric Acid SCHEMBL5760483 0.84 RAB9A (0.53) RAB9ANPC1CA12CA9ALDH1A1
Potassium SCHEMBL6997235 0.84 RAB9A (0.53) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL4182133 0.82 RAB9A (0.52) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL4182138 0.82 CARM1 (0.53) RAB9ANPC1CA12CA9ALDH1A1
Potassium Ion SCHEMBL6997232 0.81 ALDH1A1 (0.50) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL13889650 0.81 KMT2A (0.55) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL8919406 0.81 RAB9A (0.50) RAB9ANPC1CA12CA9ALDH1A1
SCHEMBL13895390 0.79 MEN1 (0.57) RAB9ANPC1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 RAB9A 362/4885NPC1 429/4885CA12 613/4885

“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.