SCHEMBL6447142

SCHEMBL6447142

[CH2]C(CCC#N)Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP2D6 P10635 1/20 0.38
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 1/20 0.36
ACP3 P15309 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
GALK1 P51570 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6448972 0.84 CTNNB1 (0.43) CTNNB1CYP1A2CYP2C19CYP2C9CTSS
SCHEMBL6447751 0.79 CTNNB1 (0.42) CTNNB1CYP1A2CYP2C19CYP2C9CTSS
Hydrochloric Acid SCHEMBL4890638 0.78 CYP1A2 (0.41) CTNNB1CYP1A2CYP2C19CYP2C9CTSS
SCHEMBL7296607 0.78 CTNNB1 (0.41) CTNNB1CYP1A2CYP2C19CYP2C9CTSS
SCHEMBL6445137 0.77 CTNNB1 (0.45) CTNNB1CYP1A2CYP2C19CYP2C9CTSS
SCHEMBL10389712 0.77 CTNNB1 (0.50) CTNNB1CYP1A2CTSSCTSKTDP1
SCHEMBL11214375 0.75 ATM (0.50) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL31258909 0.75 ATM (0.50) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1823898 0.74 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6HTT
SCHEMBL14720291 0.73 CTNNB1 (0.47) CTNNB1CYP1A2CYP2C19CYP2C9CTSS

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 CTNNB1 1728/4885CYP1A2 1864/4885CYP2C19 1268/4885

“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.