SCHEMBL4826040

SCHEMBL4826040

O=C(O)Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 3/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL4831316 0.87 ALDH1A1 (0.49) NPC1HPGDNFKB1RAB9ANFKB2
SCHEMBL4836350 0.87 CYP2C9 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL4828997 0.87 ENPP2 (0.44) NPC1HPGDNFKB1RAB9ANFKB2
SCHEMBL4826152 0.83 MAPT (0.51) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL6432318 0.83 GAA (0.49) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL4834870 0.82 ALDH1A1 (0.43) NPC1HPGDNFKB1RAB9ANFKB2
SCHEMBL27612962 0.81 MAPT (0.43) NPC1HPGDNFKB1RAB9ANFKB2
SCHEMBL27613226 0.81 MAPT (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4833579 0.80 ALDH1A1 (0.51) NPC1HPGDRAB9ASMN1; SMN2MEN1
SCHEMBL6533070 0.80 HCAR2 (0.51) NPC1RAB9AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NPC1 1170/4885HPGD 1252/4885NFKB1 2472/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NPC1 1170/4885HPGD 1252/4885NFKB1 2472/4885

“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.