SCHEMBL6448463

SCHEMBL6448463

N#Cc1ccc(CN(N)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK1E P49674 1/20 0.41
SNCA P37840 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LTA4H P09960 1/20 0.39
LAP3 P28838 1/20 0.39
EPHX1 P07099 1/20 0.38
RORC P51449 1/20 0.37
SPPL2A Q8TCT8 1/20 0.37
MAOB P27338 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
ANPEP P15144 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL6447559 0.89 CSNK1E (0.49) CSNK1ELTA4HLAP3EPHX1SPPL2A
Hydrochloric Acid SCHEMBL6444616 0.84 CSNK1E (0.43) CSNK1ELTA4HLAP3EPHX1SPPL2A
Hydrochloric Acid SCHEMBL6442992 0.84 OPRD1 (0.48) CSNK1ELTA4HLAP3EPHX1SPPL2A
SCHEMBL6443817 0.84 CSNK1E (0.43) CSNK1ETAS2R14LTA4HLAP3EPHX1
Hydrochloric Acid SCHEMBL7290116 0.84 OPRD1 (0.48) CSNK1ELTA4HLAP3EPHX1SPPL2A
SCHEMBL6709369 0.81 LTA4H (0.44) NPC1CSNK1ELTA4HLAP3
SCHEMBL6709371 0.81 LTA4H (0.44) NPC1CSNK1ELTA4HLAP3
SCHEMBL7487658 0.80 CNR2 (0.51) MEN1KMT2ACSNK1E
Hydrochloric Acid SCHEMBL6443043 0.80 LTA4H (0.44) NPC1CSNK1ELTA4HLAP3OPRD1
SCHEMBL7487666 0.80 CNR2 (0.51) MEN1KMT2ACSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US 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 MEN1 2134/4885NPC1 429/4885KMT2A 3442/4885

“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.