SCHEMBL4834831

SCHEMBL4834831

CCc1csc(CCc2ccc(N)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.59
HDAC6 Q9UBN7 12/20 0.59
GFER P55789 1/20 0.45
NOS1 P29475 1/20 0.41
GRK6 P43250 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
AOC3 Q16853 1/20 0.39
DHFR P00374 1/20 0.38

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
SCHEMBL4825659 0.87 HDAC1 (0.56) HDAC1HDAC6GFERNOS1GRK6
SCHEMBL19956579 0.83 HDAC1 (0.57) HDAC1HDAC6NOS1
SCHEMBL19956623 0.81 HDAC1 (0.42) HDAC1HDAC6DHFR
SCHEMBL3956722 0.79 LOXL2 (0.47) HDAC1HDAC6AOC3
SCHEMBL4829173 0.79 HDAC1 (0.44) HDAC1HDAC6AOC3
SCHEMBL5908633 0.78 NOS1 (0.53) HDAC1HDAC6NOS1
SCHEMBL4834326 0.78 HDAC1 (0.65) HDAC1HDAC6
Bromide SCHEMBL4084010 0.78 LOXL2 (0.46) HDAC1HDAC6AOC3
SCHEMBL11926805 0.75 SLC6A3 (0.49) HDAC1HDAC6
SCHEMBL19362878 0.75 PTPRB (0.54)

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 HDAC1 662/4885HDAC6 981/4885GFER 575/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HDAC1 662/4885HDAC6 981/4885GFER 575/4885

“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.