SCHEMBL964220

SCHEMBL964220

O=C(Nc1cc[c]cc1)OCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
BCHE P06276 1/20 0.39
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL966501 0.86 NPSR1 (0.46) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10361284 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL963802 0.82 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL1416499 0.79 ATG4B (0.43) NPC1RAB9ASMN1; SMN2NPSR1LMNA
SCHEMBL2535856 0.79 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL358841 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL1416042 0.77 ATG4B (0.44) NPC1RAB9ASMN1; SMN2NPSR1LMNA
SCHEMBL17346621 0.76 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10596423 0.76 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL122021 0.76 RAB9A (0.64) NPC1RAB9ASMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US claimed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US claimed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US claimed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP claimed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO claimed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US claimed
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US disclosed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US disclosed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US disclosed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP disclosed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO disclosed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US 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 (3 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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 NPC1 1179/4885RAB9A 3343/4885SMN1; SMN2 2728/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 NPC1 1179/4885RAB9A 3343/4885SMN1; SMN2 2728/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 NPC1 1179/4885RAB9A 3343/4885SMN1; SMN2 2728/4885

“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.