SCHEMBL3836086

SCHEMBL3836086

CON=C1CN(C(=O)OCc2ccccc2)CC1CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
PDE4B Q07343 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SYK P43405 1/20 0.42
CYP2C19 P33261 1/20 0.40
DRD2 P14416 1/20 0.39
NAMPT P43490 2/20 0.39
GRIN2B Q13224 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MAPT P10636 1/20 0.39
CTSL P07711 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 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
SCHEMBL13646937 1.00 HTT (0.46) HTTPDE4BSMN1; SMN2NPC1RAB9A
SCHEMBL8466304 0.87 NAMPT (0.44) SMN1; SMN2SYKDRD2NAMPTKDM4E
SCHEMBL14493183 0.85 NAMPT (0.41) DRD2NAMPTMAPTKDM4EPKM
SCHEMBL5343772 0.85 NAMPT (0.41) DRD2NAMPTMAPTKDM4EPKM
SCHEMBL3272782 0.83 KDM4E (0.46) HTTSMN1; SMN2NPC1RAB9ASYK
SCHEMBL13382577 0.83 KDM4E (0.46) HTTSMN1; SMN2NPC1RAB9ASYK
SCHEMBL13382306 0.83 KDM4E (0.46) HTTSMN1; SMN2NPC1RAB9ASYK
SCHEMBL3841774 0.82 SMN1; SMN2 (0.49) HTTPDE4BSMN1; SMN2NPC1RAB9A
SCHEMBL3841772 0.82 SMN1; SMN2 (0.49) HTTPDE4BSMN1; SMN2NPC1RAB9A
SCHEMBL13646932 0.82 SMN1; SMN2 (0.49) HTTPDE4BSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809639-B1 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2009-10-14 EP disclosed
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-05-11 US 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 (1 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-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents RECQL, DNA2, REV1 HTT 3879/4885PDE4B 480/4885SMN1; SMN2 3896/4885

“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.