SCHEMBL6443262

SCHEMBL6443262

CC(C)(C)N(NCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
OPRK1 P41145 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 0.86 ESRRG (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1POLB
SCHEMBL6445307 0.85 HPGD (0.50) RIPK1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL6279491 0.85 EPHX2 (0.47) SMN1; SMN2
SCHEMBL8174092 0.85 SMN1; SMN2 (0.59) RIPK1SMN1; SMN2RAB9ALMNAMEN1
SCHEMBL6443036 0.82 NPC1 (0.51) RAB9AMEN1KMT2AHTTL3MBTL1
SCHEMBL6443445 0.81 EPHX2 (0.50) MEN1KMT2AHTTNPC1POLB
SCHEMBL7716958 0.81 EPHX1 (0.44) OPRK1
SCHEMBL3463436 0.78 SMN1; SMN2 (0.43) RIPK1SMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8174273 0.76 POLB (0.52) SMN1; SMN2RAB9ALMNAKMT2AHTT
SCHEMBL28034055 0.73 LMNA (0.49) RIPK1SMN1; SMN2RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184674-A1 DNA-ENCODED CHEMICAL LIBRARY, USE THEREOF AND METHOD TO SYNTHESIZE THE LIBRARY Technische Universität Dortmund (DE) 2017-06-28 EP disclosed
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-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 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 RIPK1 4045/4885SMN1; SMN2 1200/4885RAB9A 362/4885

“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.