SCHEMBL6445307

SCHEMBL6445307

CC(C)(C)N(NCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 2/20 0.45
RIPK1 Q13546 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6445755 0.85 ESRRG (0.44) HPGDALDH1A1KMT2AKDM4EPOLB
SCHEMBL6443262 0.85 RIPK1 (0.47) RAB9ALMNAKMT2ARIPK1HTT
SCHEMBL6279491 0.84 EPHX2 (0.47) HPGDSMN1; SMN2
SCHEMBL6443036 0.81 NPC1 (0.51) RAB9AALDH1A1KMT2AHTTNPC1
SCHEMBL6443445 0.80 EPHX2 (0.50) KMT2AHTTNPC1POLB
SCHEMBL7716958 0.74 EPHX1 (0.44)
SCHEMBL6279334 0.74 CNR2 (0.46)
SCHEMBL25342630 0.73 KDM4E (0.50) HPGDRAB9AALDH1A1LMNARIPK1
SCHEMBL8174092 0.71 SMN1; SMN2 (0.59) HPGDRAB9ALMNAKMT2ARIPK1
SCHEMBL1709292 0.69 HPGD (0.65) HPGDRAB9AALDH1A1LMNAKMT2A

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 11 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
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 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-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO 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 HPGD 554/4885RAB9A 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.