SCHEMBL12222829

SCHEMBL12222829

O=C1Nc2ccc(Cl)cc2C(c2cc(O)n(O)c(=O)c2)=NC1Cc1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.48
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
ALB P02768 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.42
CHRM1 P11229 1/20 0.41
PGR P06401 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
SCHEMBL10098855 0.86 CCKBR (0.57) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL9526188 0.85 CCKBR (0.64) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL9526175 0.85 CCKBR (0.64) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12222833 0.81 CCKBR (0.50) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL10224814 0.80 CCKBR (0.51) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2117540 0.80 CCKBR (0.53) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL16104490 0.80 CCKBR (0.53) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12222828 0.80 CCKBR (0.50) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL14025195 0.79 CCKBR (0.50) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12918256 0.79 CCKBR (0.50) CCKBRLMNAMEN1ALBKMT2A

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 8 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 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-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
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
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
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 CCKBR 516/4885LMNA 3556/4885MEN1 3442/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 CCKBR 516/4885LMNA 3556/4885MEN1 3442/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CCKBR 516/4885LMNA 3556/4885MEN1 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.