SCHEMBL206963

SCHEMBL206963

CN(CCc1ccc(C(=O)Cl)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.50
LTB4R2 Q9NPC1 4/20 0.50
MLYCD O95822 2/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HDAC1 Q13547 2/20 0.44
ESRRG P62508 1/20 0.43
ALOX5 P09917 1/20 0.43
NPY5R Q15761 1/20 0.42
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL206739 0.89 LTB4R (0.52) LTB4RLTB4R2MLYCDALDH1A1MAPT
SCHEMBL13181407 0.89 LTB4R (0.56) LTB4RLTB4R2MLYCDALDH1A1MAPT
SCHEMBL205522 0.86 CHRNB2 (0.51) MLYCDALDH1A1MAPTHPGDHDAC1
SCHEMBL23291183 0.86 LTB4R (0.54) LTB4RLTB4R2MLYCDALDH1A1ESRRG
SCHEMBL13683271 0.84 LTB4R (0.52) LTB4RLTB4R2MLYCDALDH1A1NPY5R
SCHEMBL3863448 0.84 LTB4R (0.52) LTB4RLTB4R2MLYCDALDH1A1MAPT
SCHEMBL8233693 0.82 LTB4R (0.50) LTB4RLTB4R2MLYCDALDH1A1NPY5R
SCHEMBL3859118 0.82 LTB4R (0.50) LTB4RLTB4R2MLYCDALDH1A1NPY5R
SCHEMBL7367495 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHDAC1LMNA
SCHEMBL14357352 0.81 LTB4R (0.52) LTB4RLTB4R2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US 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 LTB4R 2344/4885LTB4R2 2675/4885MLYCD 1675/4885

“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.