SCHEMBL6442995

SCHEMBL6442995

CC(C)C(NC(=O)CCN1CCOCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
GLA P06280 1/20 0.50
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 2/20 0.43
TERT O14746 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6442998 1.00 SMN1; SMN2 (0.54) SMN1; SMN2GLALMNACYP2C19RAB9A
SCHEMBL6448464 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10TSHR
SCHEMBL6448460 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10TSHR
SCHEMBL13396798 0.83 SMN1; SMN2 (0.61) SMN1; SMN2GLALMNACYP2C19RAB9A
SCHEMBL6447657 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10TSHR
SCHEMBL6447668 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10TSHR
SCHEMBL6444915 0.80 ALDH1A1 (0.47) GLALMNAALDH1A1KMT2AATM
SCHEMBL6444920 0.80 ALDH1A1 (0.47) GLALMNAALDH1A1KMT2AATM
SCHEMBL6446187 0.79 ALDH1A1 (0.46) LMNAALDH1A1KMT2AATMMEN1
SCHEMBL6446180 0.79 ALDH1A1 (0.46) LMNAALDH1A1KMT2AATMMEN1

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-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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 SMN1; SMN2 1200/4885GLA 10/4885LMNA 1225/4885

“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.