SCHEMBL961398

SCHEMBL961398

O=C(Nc1[c]cccc1)OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
BCHE P06276 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
PRCP P42785 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL963770 0.82 LMNA (0.65) ALDH1A1KMT2ALMNAATMCYP2C19
SCHEMBL7495196 0.79 SMN1; SMN2 (0.63) ALDH1A1KMT2ALMNAATMMEN1
SCHEMBL966712 0.78 NPC1 (0.52) ALDH1A1KMT2ALMNAATMCYP2C19
SCHEMBL964270 0.77 ALDH1A1 (0.48) ALDH1A1KMT2ALMNABCHEATM
SCHEMBL2534597 0.76 HPGD (0.48) ALDH1A1KMT2ALMNAMEN1CYP2C19
SCHEMBL964201 0.74 CYP2C9 (0.60) ALDH1A1KMT2ALMNAMEN1CYP2C19
SCHEMBL6262792 0.74 CHRM3 (0.62)
SCHEMBL122020 0.73 SMN1; SMN2 (0.53) ALDH1A1KMT2ALMNACYP2C19CYP1A2
SCHEMBL8202631 0.73 SMN1; SMN2 (0.62) ALDH1A1LMNAATML3MBTL1POLB
SCHEMBL14027686 0.72 ALDH1A1 (0.54) ALDH1A1LMNACYP2D6GAAPOLB

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 ALDH1A1 1333/4885KMT2A 3319/4885LMNA 3556/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 ALDH1A1 1333/4885KMT2A 3319/4885LMNA 3556/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 ALDH1A1 1333/4885KMT2A 3319/4885LMNA 3556/4885

“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.