SCHEMBL205396

SCHEMBL205396

O=C(Cl)c1ccc(-c2ccccn2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 5/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 2/20 0.45
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
P2RX7 Q99572 2/20 0.43
ACLY P53396 1/20 0.43
CNR1 P21554 1/20 0.42
PDK2 Q15119 1/20 0.42
KAT7 O95251 1/20 0.41
DRD2 P14416 1/20 0.41
METAP2 P50579 1/20 0.41
KAT6B Q8WYB5 1/20 0.41
KAT5 Q92993 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL205698 0.86 DHODH (0.56) KAT6AALDH1A1RAB9ADHODHKDM4E
SCHEMBL205611 0.81 AXL (0.57) KAT6ARAB9ALMNAGAAMAPT
SCHEMBL31227217 0.81 PIM2 (0.45)
SCHEMBL4864533 0.77 ALDH1A1 (0.57) KAT6AALDH1A1ALOX15DHODHKDM4E
SCHEMBL18311299 0.77 KAT6A (0.62) KAT6AALDH1A1RAB9ADHODHKDM4E
SCHEMBL160064 0.77 KDM4E (0.67) KAT6AALDH1A1ALOX15RAB9AKDM4E
SCHEMBL17239450 0.76 KAT6A (0.57) KAT6AALDH1A1RAB9ADHODHKDM4E
SCHEMBL31227563 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1LMNA
SCHEMBL207571 0.76 CNR1 (0.54) KAT6AALOX15DHODHKDM4EMAPK1
SCHEMBL21599109 0.74 DHODH (0.60) KAT6AALDH1A1ALOX15DHODHKDM4E

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 KAT6A 913/4885ALDH1A1 398/4885ALOX15 891/4885

“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.