SCHEMBL1969771

SCHEMBL1969771

Cc1ccccc1-c1scnc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
HPGD P15428 1/20 0.44
MYC P01106 1/20 0.40
PKM P14618 1/20 0.40
PLA2G7 Q13093 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MCL1 Q07820 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
DHODH Q02127 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKDC P78527 1/20 0.36
ATR Q13535 1/20 0.36
IKBKB O14920 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL6223538 0.86 KDM4E (0.45) KDM4EHPGDPLA2G7MCL1KMT2A
SCHEMBL9586899 0.81 ILK (0.43) KDM4EHPGDKMT2AL3MBTL1LMNA
SCHEMBL984908 0.81 KDM4E (0.63) KDM4EHPGDPKMATRNPC1
SCHEMBL13398544 0.81 KDM4E (0.63) KDM4EKMT2APRKDCATRNPC1
SCHEMBL9586556 0.81 CYP1A2 (0.45) KDM4EHPGDKMT2AL3MBTL1NPC1
SCHEMBL269667 0.78 KDM4E (1.00) KDM4ELMNA
SCHEMBL20783705 0.76 KDM4E (0.70) KDM4EPKML3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL9586465 0.76 PMP22 (0.58) KDM4EHPGDKMT2ANPC1LMNA
SCHEMBL15929451 0.75 RAB9A (0.39) KDM4EPLA2G7NPC1RAB9A
SCHEMBL13398609 0.75 KDM4E (0.55) KDM4EDHODHLMNAKIF11CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471314-B Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM SPA 2015-05-13 CN disclosed
CN-104334544-A Benzimidazole-proline derivatives ACTELION PHARMACEUTICALS LTD 2015-02-04 CN disclosed
CN-104220065-A Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS INC 2014-12-17 CN disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
CN-102471314-A Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM SPA 2012-05-23 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 KDM4E 1245/4885HPGD 886/4885MYC 4015/4885

“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.