SCHEMBL836674

SCHEMBL836674

CC(=O)COc1c(C)cc(N)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 5/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP1 P29466 1/20 0.36
MGMT P16455 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CREBBP Q92793 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL15651231 0.85 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL14931907 0.85 MCL1 (0.45) KMT2AKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL14997055 0.84 MAPT (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL837043 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3190087 0.81 MEN1 (0.59) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL4853186 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19
SCHEMBL836544 0.78 MAPT (0.40) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL836680 0.77 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL10097969 0.77 MEN1 (0.38) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL836542 0.76 KMT2A (0.56) KMT2AMEN1ALDH1A1POLBKDM4E

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-8143421-B2 Broadspectrum substituted benzimidazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-03-27 US disclosed
US-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS SURLERAUX DOMINIQUE LOUIS 2009-08-13 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-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS NR0B1, LTC4S, LTB4R KMT2A 3153/4885MEN1 1185/4885ALDH1A1 1880/4885

“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.