SCHEMBL6319418

SCHEMBL6319418

C=C(C)CN1CCN(Cc2ccccc2)C(=O)c2sc3ccc(OC)cc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.40
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
CDK1 P06493 3/20 0.39
MAPKAPK2 P49137 3/20 0.39
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 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
SCHEMBL6318665 0.90 MAPKAPK2 (0.42) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6313342 0.87 MAPKAPK2 (0.40) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6312286 0.85 MAPKAPK2 (0.40) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6314180 0.85 MAPKAPK2 (0.40) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6312257 0.81 MAPKAPK2 (0.55) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6313037 0.78 MAPKAPK2 (0.49) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6320066 0.77 MAPKAPK2 (0.56) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6312961 0.74 MAPKAPK2 (0.46) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1
SCHEMBL6311684 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1PKMKDM4E
SCHEMBL6312598 0.74 MAPKAPK2 (0.54) CDK1MAPKAPK2ALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO claimed

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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L AKR1B10 195/4885AKR1A1 151/4885AKR1B1 83/4885

“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.