SCHEMBL4281138

SCHEMBL4281138

CC1(C)C=C(c2ccc3ncsc3c2)C(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
DYRK1B Q9Y463 7/20 0.38
DYRK2 Q92630 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CLK1 P49759 6/20 0.37
CLK4 Q9HAZ1 4/20 0.37
TGFBR1 P36897 3/20 0.37
CSNK2A2 P19784 2/20 0.37

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
SCHEMBL4275209 0.90 FASN (0.40) DYRK1AALDH1A1MAPTFFAR1CRBN
SCHEMBL4270327 0.74 NPC1 (0.50) DYRK1AALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL31214345 0.70 DYRK1A (0.72) DYRK1AALDH1A1FFAR1L3MBTL1NPC1
SCHEMBL4269525 0.70 GSTP1 (0.42) ALDH1A1MAPTHPGDKDM4E
SCHEMBL6415131 0.69 DYRK1A (0.47) DYRK1AL3MBTL1SMN1; SMN2DYRK1BDYRK2
SCHEMBL4273457 0.68 GABRA1 (0.38)
SCHEMBL4273428 0.68 SIGMAR1 (0.38) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4274388 0.68 NR2F2 (0.49) DYRK1ACLK4CSNK2A1PIK3CDPIK3CA
SCHEMBL4274893 0.68 FFAR1 (0.37) DYRK1AALDH1A1MAPTFFAR1SMN1; SMN2
SCHEMBL4265403 0.66 LPL (0.33) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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 (4 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 DYRK1A 4555/4885ALDH1A1 1104/4885MAPT 4875/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 DYRK1A 4498/4885ALDH1A1 2177/4885MAPT 2607/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 DYRK1A 4623/4885ALDH1A1 595/4885MAPT 4860/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 DYRK1A 4598/4885ALDH1A1 1294/4885MAPT 4865/4885

“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.