SCHEMBL4274482

SCHEMBL4274482

C=C1C(=O)C=CC(C)(C)C1c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
GSK3B P49841 1/20 0.35
HSD11B1 P28845 1/20 0.35
PTGS2 P35354 1/20 0.34
HSD17B10 Q99714 2/20 0.33
OPRK1 P41145 2/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL4271288 0.81 PTGS2 (0.37) KMT2ANPC1MAPTRAB9AHTT
SCHEMBL4264680 0.76 MAPT (0.42) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL4265741 0.73 GSK3B (0.43) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL4265998 0.70 NPC1 (0.40) ALDH1A1KMT2ANPC1MAPTKDM4E
SCHEMBL4273465 0.70 IDO1 (0.38) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL12946804 0.68 DDB1 (0.38) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL4269547 0.67 DDB1 (0.47) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL10737450 0.64 ALDH1A1 (0.51) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL10744612 0.63 ALDH1A1 (0.50) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL10744601 0.63 ALDH1A1 (0.50) DDB1CRBNALDH1A1KMT2ANPC1

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 DDB1 2367/4885CRBN 1617/4885ALDH1A1 1104/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 DDB1 368/4885CRBN 3389/4885ALDH1A1 2177/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 DDB1 1934/4885CRBN 3063/4885ALDH1A1 595/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 DDB1 2098/4885CRBN 1887/4885ALDH1A1 1294/4885

“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.