SCHEMBL18549262

SCHEMBL18549262

O=S(=O)(c1ccc(Cl)cc1)n1ccc2cc(Br)cnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.45
CYP2C19 P33261 1/20 0.45
ENPP3 O14638 4/20 0.45
ENPP1 P22413 3/20 0.45
HTR6 P50406 3/20 0.43
BRD4 O60885 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH3A1 P30838 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL13199790 0.90 PKM (0.52) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL17165072 0.86 PKM (0.45) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL1713486 0.86 L3MBTL1 (0.61) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL1359397 0.86 CYP2C19 (0.61) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL18549276 0.83 HTR6 (0.48) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL18549257 0.81 ENPP3 (0.49) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL18549202 0.79 PDE4A (0.53) L3MBTL1ENPP3ENPP1HTR6HDAC3
SCHEMBL14487894 0.78 L3MBTL1 (0.61) PKML3MBTL1CYP2C19ENPP3ENPP1
SCHEMBL10142546 0.78 CYP2C19 (0.61) PKML3MBTL1CYP2C19HTR6ALDH1A1
SCHEMBL4831446 0.77 ENPP3 (0.47) PKML3MBTL1CYP2C19ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001354-B Histone deacetylase inhibitors 台北医学大学 2021-06-22 CN disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 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-10246455-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC5 PKM 908/4885L3MBTL1 4016/4885CYP2C19 871/4885
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC5 PKM 908/4885L3MBTL1 4016/4885CYP2C19 871/4885

“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.