SCHEMBL20833643

SCHEMBL20833643

COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPT P10636 1/20 0.49
P2RY12 Q9H244 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IMPDH2 P12268 1/20 0.46
GRM1 Q13255 1/20 0.45
HPGD P15428 3/20 0.44
TAS2R8 Q9NYW2 1/20 0.43
POLB P06746 2/20 0.43
PRKCA P17252 1/20 0.43
ROCK2 O75116 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL2388881 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2391593 0.99 NPC1 (0.50) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL12256151 0.89 PKM (0.43) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL21180772 0.86 P2RY12 (0.41) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL20833589 0.86 HDAC1 (0.42) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2391009 0.86 HDAC1 (0.48) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL27016029 0.86 HDAC1 (0.48) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL12256182 0.86 HDAC1 (0.48) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL12307070 0.86 HDAC1 (0.48) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL2392790 0.85 HDAC1 (0.49) NPC1RAB9ASMN1; SMN2PKMNFKB1

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 2440/4885SMN1; SMN2 3132/4885

“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.