SCHEMBL5508735

SCHEMBL5508735

CC(C)(C)OC(=O)NC1CC1c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.70
MAOB P27338 3/20 0.61
MAOA P21397 1/20 0.61
TLR2 O60603 2/20 0.48
TLR1 Q15399 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 1/20 0.42
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
RORC P51449 2/20 0.41
DPP4 P27487 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL18016108 1.00 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL15200609 1.00 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL16355420 1.00 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17984453 1.00 KDM1A (0.70) KDM1AMAOBMAOATLR2TLR1
SCHEMBL19609152 0.87 KDM1A (0.61) KDM1AMAOBMAOAHDAC6
SCHEMBL16019177 0.87 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17718446 0.87 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL15096181 0.87 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL15235894 0.87 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17718439 0.87 KDM1A (0.71) KDM1AMAOBMAOATLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153636-A Cyclopropyl-amide compound as dual LSD1/HDAC inhibitor 朱比连特比利斯有限公司 2019-01-04 CN disclosed
EP-2814321-B1 NEMATICIDAL CIS (HETERO)ARYLCYCLOPROPYLCARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-26 EP disclosed
WO-2017195216-A1 CYCLOPROPYL-AMIDE COMPOUNDS AS DUAL LSD1/HDAC INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2017-11-16 WO disclosed
US-9408392-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-09 US disclosed
US-20140378461-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
EP-2814321-A2 NEMATICIDAL CIS (HETERO)ARYLCYCLOPROPYLCARBOXAMIDE DERIVATIVES Syngenta Participations AG (CH) 2014-12-24 EP disclosed
WO-2013120940-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-22 WO disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO 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 (2 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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 KDM1A 1498/4885MAOB 4298/4885MAOA 4468/4885
US-20140378461-A1 NOVEL COMPOUNDS CYP1B1, DDT, CYP51A1 KDM1A 1147/4885MAOB 1203/4885MAOA 1667/4885

“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.