SCHEMBL5903761

SCHEMBL5903761

COC(=O)c1ccc(-c2ccn(CC(=O)NCCc3c[nH]c4ccccc34)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ AANAT Q16613 1/20 0.48
▸ GALR3 O60755 1/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46

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
SCHEMBL5903929 0.90 HDAC1 (0.57) ERAP2NPC1RAB9AMEN1KMT2A
SCHEMBL5903792 0.87 HDAC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5903728 0.82 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5904060 0.79 HDAC1 (0.55) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL5903760 0.76 HDAC1 (0.66) CYP3A4NPC1RAB9AHDAC3HDAC4
SCHEMBL5903871 0.74 HDAC1 (0.76) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL5903942 0.74 HDAC1 (0.54) CYP1A2CYP2C19MAPTMEN1KMT2A
SCHEMBL5903687 0.72 HDAC1 (0.53) LMNATSHRHDAC3HDAC4HDAC1
SCHEMBL5903829 0.71 HDAC1 (0.83) MAPTMEN1KMT2AHDAC3HDAC4
SCHEMBL5903814 0.71 HDAC1 (0.65) MEN1KMT2ALMNAHDAC3HDAC4

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
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LIMITED 2006-06-08 — — US disclosed
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 — — EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 — — WO disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 — — 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-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 CYP1A2 1750/4885CYP2C19 1768/4885CYP3A4 2962/4885

“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