SCHEMBL1997107

SCHEMBL1997107

O=Cc1ccc2c(c1)CN(c1nc3ccccc3o1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
CRBN Q96SW2 1/20 0.37
SORD Q00796 1/20 0.36
ELANE P08246 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
FAAH O00519 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 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
SCHEMBL1992434 0.83 GSK3B (0.48) GAAKMT2ASMN1; SMN2MAPT
SCHEMBL1992433 0.83 GSK3B (0.48) GAAKMT2ASMN1; SMN2MAPT
SCHEMBL4556640 0.81 CHRNA7 (0.34) HDAC11HDAC6GAAKMT2ALMNA
SCHEMBL1989631 0.75 GRIN2D (0.46) GAAKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17957759 0.73 HDAC6 (0.63) HDAC11HDAC6LMNASMN1; SMN2TSHR
SCHEMBL1990714 0.73 ALDH1A1 (0.40) HDAC11GAAKMT2AALDH1A1LMNA
SCHEMBL17957800 0.72 LMNA (0.48) HDAC11HDAC6GAAKMT2AALDH1A1
SCHEMBL21047659 0.69 CRBN (0.52) HDAC11HDAC6GAAKMT2ALMNA
SCHEMBL21979404 0.68 ELANE (0.63) GAAKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL29533076 0.68 GPR119 (0.50) ALDH1A1SMN1; SMN2MAPTELANEFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263587-B2 Benzoxazepine compounds, their preparation and use PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-11 US disclosed
EP-2077846-B1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-12 EP disclosed
US-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-06-23 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 (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-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE GPR119, INSR, SLC5A1 HDAC11 432/4885HDAC6 2241/4885GAA 1553/4885

“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.