SCHEMBL205363

SCHEMBL205363

O=C(Cl)C1CCN2CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.39
L3MBTL1 Q9Y468 8/20 0.39
HTR6 P50406 1/20 0.37
MBTD1 Q05BQ5 4/20 0.36
TP53BP1 Q12888 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4164653 0.86 POLB (0.42) L3MBTL3L3MBTL1SIGMAR1CHRM2CHRM4
SCHEMBL29588116 0.85 ALDH1A1 (0.41) L3MBTL3L3MBTL1HTR6MBTD1TP53BP1
Hydrochloric Acid SCHEMBL3953750 0.83 ALDH1A1 (0.44) L3MBTL3L3MBTL1HTR6POLB
Hydrochloric Acid SCHEMBL4139677 0.83 ALDH1A1 (0.44) L3MBTL3L3MBTL1HTR6POLB
SCHEMBL7492461 0.78 L3MBTL3 (0.38) L3MBTL3L3MBTL1SIGMAR1POLBHSD17B10
SCHEMBL14809831 0.77 CHRM1 (0.39) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL203949 0.77 MEN1 (0.42) L3MBTL3L3MBTL1
SCHEMBL24003728 0.76 L3MBTL3 (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL21078296 0.76 RAB9A (0.39) L3MBTL3L3MBTL1HTR6CHRM2CHRM4
Hydrochloric Acid SCHEMBL28524461 0.76 ALDH1A1 (0.44) L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 L3MBTL3 3984/4885L3MBTL1 3345/4885HTR6 2051/4885

“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.