SCHEMBL17383088

SCHEMBL17383088

O=c1[nH]c(=S)[nH]c(O)c1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ TDP1 Q9NUW8 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ DAO P14920 1/20 0.32

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
SCHEMBL11735771 0.66 RPS6KA3 (0.47) MAPTTDP1MEN1KMT2APOLB
SCHEMBL11202848 0.65 ACMSD (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5763194 0.64 PDE5A (0.39) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL17727979 0.63 DAO (0.41) JAK2JAK1TYK2JAK3DAO
SCHEMBL13455320 0.63 PDE5A (0.41) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL17550133 0.62 JAK2 (0.43) POLBKDM4EALDH1A1GAAJAK2
SCHEMBL17200809 0.61 ERAP1 (0.58) MAPTTDP1MEN1KMT2APOLB
SCHEMBL30902574 0.60 RPS6KA3 (0.54) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29868135 0.59 DAO (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL25453459 0.57 RPS6KA3 (0.58) MAPTTDP1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981920-B2 Inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2018-05-29 — — US disclosed
US-9981920-B2 Inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2018-05-29 — — US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 — — US disclosed
US-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-07-20 — — US disclosed
WO-2015200619-A1 INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2015-12-30 — — 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-20170204070-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 MAPT 557/4885TDP1 993/4885MEN1 3010/4885

“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.

Send feedback