SCHEMBL10067384

SCHEMBL10067384

Cc1c(C(C)C)[nH]c2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
MLKL Q8NB16 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
ACHE P22303 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
METAP2 P50579 1/20 0.40
CHUK O15111 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL24451733 0.81 MEN1 (0.45) KIF11KEAP1NFE2L2KMT2AMEN1
SCHEMBL22330394 0.79 HTR6 (0.51) KMT2AMEN1SMN1; SMN2MLKLGAA
SCHEMBL12425598 0.78 MEN1 (0.57) KIF11KMT2AMEN1MLKLALDH1A1
SCHEMBL10067335 0.77 MAPT (0.55) KIF11KEAP1NFE2L2SMN1; SMN2OPRM1
SCHEMBL30356394 0.77 MAPT (0.55) KIF11KEAP1NFE2L2SMN1; SMN2OPRM1
SCHEMBL23502011 0.75 KIF11 (0.53) KIF11KEAP1NFE2L2KMT2AMEN1
SCHEMBL11965204 0.74 MTNR1A (0.43) KIF11KEAP1NFE2L2KMT2AMEN1
SCHEMBL14255879 0.74 KMT2A (0.55) KIF11KEAP1NFE2L2KMT2AMEN1
SCHEMBL10067381 0.73 AHR (0.57) KIF11KMT2AMEN1MLKLALDH1A1
SCHEMBL10067361 0.71 KMT2A (0.50) KIF11KEAP1NFE2L2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148392-B2 2-indolyl imidazo [4,5-d] phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC. (CA) 2012-04-03 US disclosed
US-8148392-B2 2-indolyl imidazo [4,5-d] phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC. (CA) 2012-04-03 US disclosed
US-7977370-B2 (Hetero)aryl cyclohexane derivatives GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
US-20100168417-A1 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer APTOSE BIOSCIENCES INC. (CA) 2010-07-01 US disclosed
US-20100168417-A1 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer APTOSE BIOSCIENCES INC. (CA) 2010-07-01 US disclosed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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 (2 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-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES OPRL1, OPRM1, OPRD1 KIF11 4356/4885KEAP1 1699/4885NFE2L2 1003/4885
US-20100168417-A1 2-Indolyl Imidazo [4,5-d] Phenanthroline Derivatives and Their Use in the Treatment for Cancer FLI1, IKZF3, IKZF2 KIF11 798/4885KEAP1 613/4885NFE2L2 72/4885

“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.