SCHEMBL9948498

SCHEMBL9948498

O=C(COc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
NR4A2 P43354 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49

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
SCHEMBL9368178 0.90 RAB9A (0.52) ERCC5FEN1MAPTNPC1RAB9A
SCHEMBL9786924 0.90 MAPT (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9315524 0.83 NPC1 (0.49) ERCC5FEN1KMT2AMEN1MAPT
SCHEMBL1068092 0.82 MAPT (0.69) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9315545 0.82 KDM4E (0.47) ERCC5FEN1KMT2AMEN1MAPT
SCHEMBL6205126 0.81 L3MBTL1 (0.60) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL658106 0.81 MAPT (0.64) KMT2AMEN1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL8136104 0.81 MAPT (0.67) KMT2AMEN1MAPTNPC1RAB9A
Methane SCHEMBL28765047 0.81 MAPT (0.67) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL29207027 0.81 NPC1 (0.76) KMT2AMEN1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
EP-2468751-A2 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole Medichem, S.A. (ES) 2012-06-27 EP disclosed
US-4180559-A Coated 1-(2-chlorodibenzo[b,f]oxepin-10-yl)-4-methylpiperazine compositions RICHARDSON-MERRELL INC. (US) 1979-12-25 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-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE DHPS, CYP3A5, ALKBH5 ERCC5 736/4885FEN1 1524/4885KMT2A 1255/4885

“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.