SCHEMBL20833658

SCHEMBL20833658

Cn1cccc1C(=O)Nc1cn(C)c(C(=O)NCc2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CNR2 P34972 1/20 0.47
PADI4 Q9UM07 3/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
BRD4 O60885 1/20 0.44

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
SCHEMBL13272883 0.84 NPC1 (0.73) NPC1RAB9AHDAC6HDAC3HDAC4
SCHEMBL20833638 0.83 KMT2A (0.46) NPC1RAB9ASMN1; SMN2POLBPKM
SCHEMBL13845733 0.83 RAB9A (0.50) NPC1RAB9AHDAC6HDAC3HDAC4
SCHEMBL13845690 0.77 RPS6KA3 (0.50) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL27117420 0.76 HDAC1 (0.44) NPC1RAB9AHDAC6HDAC1HDAC2
SCHEMBL20833587 0.75 BRD4 (0.51) NPC1RAB9AHDAC6HDAC2HDAC8
SCHEMBL20833871 0.75 HPGD (0.55) HDAC6HDAC2HDAC8HPGDSMN1; SMN2
SCHEMBL20833589 0.73 HDAC1 (0.42) NPC1RAB9AHDAC6HDAC1HDAC2
SCHEMBL5656075 0.72 HDAC6 (0.71) NPC1RAB9AHDAC6HDAC3HDAC4
SCHEMBL26505437 0.72 HDAC1 (0.53) NPC1RAB9AHDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084928-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2019-03-21 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-20190084928-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND NIT2, NAAA, NOS2 NPC1 4010/4885RAB9A 2440/4885HDAC6 476/4885

“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.