SCHEMBL4281136

SCHEMBL4281136

CC1(C)C=CC(=O)C(c2nc3ccccc3s2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CHRNA7 P36544 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
UBE2M P61081 4/20 0.38
DCUN1D1 Q96GG9 4/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
CNR1 P21554 2/20 0.36
HDAC4 P56524 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL4270322 0.75 MAPT (0.44) MEN1KMT2AALDH1A1TP53CYP1A2
SCHEMBL4275205 0.72 CHRNA7 (0.44) MEN1KMT2ACHRNA7ALDH1A1TP53
SCHEMBL4275675 0.70 KDM1A (0.41) KMT2ACYP3A4CYP2C9
SCHEMBL10358607 0.69 MEN1 (0.47) MEN1KMT2ACHRNA7ALDH1A1TP53
SCHEMBL29723664 0.69 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TP53UBE2M
SCHEMBL4274892 0.68 MEN1 (0.38) MEN1KMT2ACHRNA7ALDH1A1TP53
SCHEMBL25908578 0.68 KMT2A (0.52) MEN1KMT2ACHRNA7ALDH1A1TP53
SCHEMBL31145098 0.68 KMT2A (0.52) MEN1KMT2ACHRNA7ALDH1A1TP53
SCHEMBL10358744 0.68 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TP53UBE2M
SCHEMBL26745647 0.68 KMT2A (0.49) MEN1KMT2ACHRNA7ALDH1A1TP53

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 MEN1 1390/4885KMT2A 4262/4885CHRNA7 2889/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 MEN1 452/4885KMT2A 3045/4885CHRNA7 4494/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 MEN1 1741/4885KMT2A 4174/4885CHRNA7 3636/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 MEN1 1835/4885KMT2A 4321/4885CHRNA7 2788/4885

“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.