SCHEMBL17134640

SCHEMBL17134640

CCOC(=O)c1cnc(S)c(Cl)c1NC1(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ PDE4B Q07343 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL17134509 0.89 MAPT (0.43) MAPTTHRBMEN1KMT2APKM
SCHEMBL17135291 0.85 MAPT (0.40) MAPTTHRBMEN1KMT2APKM
SCHEMBL17134932 0.85 AURKB (0.44) MAPTTHRBMEN1KMT2APKM
SCHEMBL913700 0.75 ALDH1A1 (0.58) MAPTMEN1KMT2ARAB9ANPSR1
SCHEMBL16626820 0.73 VNN1 (0.64) HDAC3HDAC1HDAC2HDAC6
SCHEMBL17134742 0.72 AURKB (0.56) MAPTPKMALDH1A1SMN1; SMN2KDM4E
SCHEMBL18742411 0.69 HDAC3 (0.65) MEN1KMT2ANPSR1SMN1; SMN2HDAC3
SCHEMBL17134811 0.69 NPSR1 (0.62) MAPTTHRBMEN1KMT2APKM
SCHEMBL18742534 0.69 HDAC3 (0.65) MEN1KMT2ANPSR1SMN1; SMN2HDAC3
SCHEMBL16677936 0.69 HDAC6 (0.67) HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 — — EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 — — US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 — — US disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 — — EP 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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR MAPT 4384/4885THRB 2733/4885MEN1 1212/4885

“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.

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