SCHEMBL18237124

SCHEMBL18237124

Cn1cccc1-c1nc2ccc(C(=O)NO)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.67
MAPT P10636 4/20 0.67
MAPK1 P28482 2/20 0.67
RAB9A P51151 2/20 0.66
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
EGFR P00533 1/20 0.61
HDAC3 O15379 8/20 0.60
HDAC1 Q13547 6/20 0.60
HDAC8 Q9BY41 6/20 0.60
USP2 O75604 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HDAC2 Q92769 4/20 0.58
NPC1 O15118 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC9 Q9UKV0 1/20 0.58
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL20088845 0.81 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18237054 0.77 HDAC6 (0.95) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL21976948 0.77 NPC1 (0.68) MAPTMAPK1RAB9AMEN1KMT2A
SCHEMBL20088774 0.77 HDAC6 (0.64) HDAC6MAPTRAB9AHDAC3HDAC1
SCHEMBL20088905 0.76 HDAC6 (0.74) HDAC6RAB9AHDAC3HDAC1HDAC8
SCHEMBL18229669 0.75 HDAC6 (0.79) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229509 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18237041 0.75 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229729 0.75 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18229641 0.75 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 EP claimed
EP-3294715-B1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2020-05-06 EP disclosed
US-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2018-04-26 US disclosed
WO-2016180472-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2016-11-17 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 (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-20180110755-A1 BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY HDAC6, HDAC1, HDAC11 HDAC6 1/4885MAPT 463/4885MAPK1 1116/4885

“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.