SCHEMBL4270352

SCHEMBL4270352

C=C1CC(C)(C)C(c2nc3ccccc3s2)=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
NPC1 O15118 7/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 4/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4270146 0.76 NPC1 (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4276542 0.76 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27487914 0.73 RAB9A (0.38) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4276489 0.72 RAB9A (0.40) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4274402 0.71 NPC1 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL14336929 0.70 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4272319 0.70 PTPN1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL4270412 0.69 GABRA1 (0.36)
SCHEMBL4277359 0.67 ALDH1A1 (0.36) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL827403 0.66 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2

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 RAB9A 2728/4885NPC1 4647/4885KDM4E 3382/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 RAB9A 4227/4885NPC1 2929/4885KDM4E 3869/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 RAB9A 2415/4885NPC1 4264/4885KDM4E 3887/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 RAB9A 2832/4885NPC1 4584/4885KDM4E 3452/4885

“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.