SCHEMBL18366378

SCHEMBL18366378

CCOC(=O)c1nnc2cnc(C)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
GAA P10253 5/20 0.42
GLA P06280 3/20 0.42
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL24030294 0.85 MEN1 (0.36) KDM4EGAAMAPK1ALDH1A1HSD17B10
SCHEMBL18377744 0.82 KDM4E (0.40) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL26690138 0.79 KDM4E (0.41) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL17454167 0.78 KDM4E (0.56) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL17454296 0.77 RBP4 (0.48) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL30980408 0.77 ALDH1A1 (0.41) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL17222984 0.75 MAPT (0.45) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL17454253 0.75 CYP1A2 (0.54) KDM4EGAAGLAMAPK1ALDH1A1
SCHEMBL17454314 0.75 NPC1 (0.44) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL24066043 0.75 GAA (0.44) KDM4EGAAGLAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 KDM4E 3546/4885GAA 968/4885GLA 81/4885

“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.