SCHEMBL6446955

SCHEMBL6446955

CC(C)[C@H](NC(=O)NCc1ccccn1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6446960 1.00 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7301586 0.90 POLB (0.60) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7387341 0.90 POLB (0.60) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7415049 0.87 ALDH1A1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7270439 0.81 CA2 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7800072 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7307826 0.80 MAPK1 (0.53) ALDH1A1SMN1; SMN2TSHRPOLBMAPK1
SCHEMBL7307834 0.80 MAPK1 (0.53) ALDH1A1SMN1; SMN2TSHRPOLBMAPK1
SCHEMBL7800068 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2TSHR
SCHEMBL7206283 0.80 MAPK1 (0.76) ALDH1A1SMN1; SMN2TSHRPOLBMAPT

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-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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP 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
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 NPC1 429/4885RAB9A 362/4885ALDH1A1 889/4885

“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.