SCHEMBL571868

SCHEMBL571868

COc1ccc(COc2ccc(N)c(N[C@H]3CC[C@@H](C(=O)NC(C)C)CC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
F10 P00742 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
UBE2N P61088 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SMPD1 P17405 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB5 P28074 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL571869 1.00 ACACB (0.45) ACACBF10TSHRALDH1A1UBE2N
SCHEMBL571767 0.85 ACACB (0.43) ACACBF10TSHRALDH1A1UBE2N
SCHEMBL571766 0.85 ACACB (0.43) ACACBF10TSHRALDH1A1UBE2N
SCHEMBL572658 0.80 ACACB (0.41) ACACB
SCHEMBL572659 0.80 ACACB (0.41) ACACB
SCHEMBL571880 0.79 HRH3 (0.46) ACACBPSMB5POLB
SCHEMBL15192758 0.79 HRH3 (0.46) ACACBPSMB5POLB
SCHEMBL15192602 0.77 HRH3 (0.46) ACACBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15192603 0.77 HRH3 (0.46) ACACBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15199184 0.77 NPC1 (0.41) ACACBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 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 (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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ACACB 684/4885F10 3545/4885TSHR 3348/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ACACB 684/4885F10 3545/4885TSHR 3348/4885

“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.