SCHEMBL572675

SCHEMBL572675

CC(C)NC(=O)C1CCC(Nc2cc(Cl)ccc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACKR3 P25106 1/20 0.39
CCR1 P32246 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACACB O00763 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL572674 1.00 SMN1; SMN2 (0.46) SMN1; SMN2GAAHPGDMAPTHDAC1
SCHEMBL15199184 0.86 NPC1 (0.41) GAAMAPTHDAC1HDAC2KMT2A
SCHEMBL572724 0.85 HDAC1 (0.47) SMN1; SMN2GAAHDAC1HDAC2KMT2A
SCHEMBL572723 0.85 HDAC1 (0.47) SMN1; SMN2GAAHDAC1HDAC2KMT2A
SCHEMBL572658 0.83 ACACB (0.41) HDAC1ACACB
SCHEMBL572659 0.83 ACACB (0.41) HDAC1ACACB
SCHEMBL573137 0.82 AOC2 (0.39) GAAKMT2AALDH1A1ACACB
SCHEMBL573138 0.82 AOC2 (0.39) GAAKMT2AALDH1A1ACACB
SCHEMBL572549 0.81 ALDH1A1 (0.48) SMN1; SMN2GAAHPGDMAPTCYP1A2
SCHEMBL572484 0.81 ALDH1A1 (0.48) SMN1; SMN2GAAHPGDMAPTCYP1A2

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 SMN1; SMN2 4299/4885GAA 1471/4885HPGD 2925/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 SMN1; SMN2 4299/4885GAA 1471/4885HPGD 2925/4885

“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.