SCHEMBL432480

SCHEMBL432480

ClC(Cl)(Cl)c1nc(Cc2ccccc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 2/20 0.49
CHUK O15111 1/20 0.49
TXNRD1 Q16881 1/20 0.49
NOX4 Q9NPH5 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STAT3 P40763 1/20 0.43
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.38
NMT1 P30419 1/20 0.38

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
SCHEMBL17115019 0.85 STAT3 (0.52) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL17100748 0.83 STAT3 (0.42) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL18603150 0.83 STAT3 (0.51) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL77504 0.83 MAPK1 (0.53) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL11840368 0.79 HDAC3 (0.45) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL17115051 0.76 STAT3 (0.45) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL17115046 0.74 STAT3 (0.43) NPC1RAB9AMAPK1L3MBTL1TDP1
SCHEMBL11638729 0.74 MAPK1 (0.61) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL2656622 0.73 MAPK1 (0.61) NPC1RAB9AHTTMAPK1L3MBTL1
SCHEMBL433715 0.73 MAPK1 (0.53) NPC1RAB9AHTTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-3960849-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-06-01 US disclosed
US-3959259-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-05-25 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 (5 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT NPC1 1192/4885RAB9A 3737/4885HTT 9/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT NPC1 1323/4885RAB9A 3719/4885HTT 8/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT NPC1 1192/4885RAB9A 3737/4885HTT 9/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 NPC1 919/4885RAB9A 1728/4885HTT 1879/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L NPC1 2209/4885RAB9A 4506/4885HTT 4651/4885

“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.