SCHEMBL7789115

SCHEMBL7789115

CON(C)C(=O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.42
APP P05067 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL7789120 1.00 SIRT2 (0.42) SIRT2APPHDAC1HDAC2NPC1
SCHEMBL6926964 0.85 KDM4E (0.43) SIRT2HDAC1HDAC2L3MBTL1
SCHEMBL6926961 0.85 KDM4E (0.43) SIRT2HDAC1HDAC2L3MBTL1
SCHEMBL6714982 0.83 RAB9A (0.42) SIRT2HDAC1HDAC2NPC1CYP11B1
SCHEMBL6714980 0.83 RAB9A (0.42) SIRT2HDAC1HDAC2NPC1CYP11B1
SCHEMBL1735338 0.80 SIRT2 (0.44) SIRT2CYP11B1CYP11B2
SCHEMBL28361973 0.79 NPC1 (0.51) SIRT2NPC1
SCHEMBL8447651 0.79 SIRT2 (0.51) SIRT2NPC1CYP11B1CYP11B2
SCHEMBL7796077 0.74 AKR1C3 (0.42) SIRT2CYP11B1CYP11B2
SCHEMBL7796079 0.74 AKR1C3 (0.42) SIRT2CYP11B1CYP11B2

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
US-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives KJAERSGAARD HANS JOERGEN (DK) 2001-11-29 US disclosed
WO-2001081317-A1 CHIRAL IMIDAZOYL INTERMEDIATES FOR THE SYNTHESIS OF 2-(4-IMIDAZOYL)-CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 2001-11-01 WO 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-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives HRH4, HRH2, HRH1 SIRT2 2591/4885APP 4432/4885HDAC1 950/4885

“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.