SCHEMBL23317163

SCHEMBL23317163

CNC(=S)NNC(=O)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.71
▸ HTT P42858 6/20 0.71
▸ LMNA P02545 3/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ ALDH1A1 P00352 6/20 0.61
▸ KDM4C Q9H3R0 1/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ MAPT P10636 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HKDC1 Q2TB90 1/20 0.59
▸ TLR7 Q9NYK1 5/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CDK5 Q00535 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ CDK5R1 Q15078 1/20 0.55

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
SCHEMBL1147702 0.84 KDM4E (0.73) KDM4EHTTLMNAL3MBTL1ALDH1A1
SCHEMBL13850723 0.81 KDM4E (0.65) KDM4EHTTLMNAL3MBTL1ALDH1A1
SCHEMBL30037891 0.81 ALDH1A1 (0.61) KDM4EHTTLMNAL3MBTL1ALDH1A1
SCHEMBL162189 0.81 ALDH1A1 (0.61) KDM4EHTTLMNAL3MBTL1ALDH1A1
SCHEMBL28431272 0.80 KDM4E (0.62) KDM4EHTTLMNAL3MBTL1ALDH1A1
Azapicyl SCHEMBL24931095 0.80 KDM4E (0.68) KDM4EHTTLMNAL3MBTL1ALDH1A1
SCHEMBL25999794 0.79 KDM4E (0.61) KDM4EHTTLMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6385940 0.79 ALDH1A1 (0.59) KDM4EHTTLMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL29898692 0.79 ALDH1A1 (0.59) KDM4EHTTLMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL1291172 0.79 ALDH1A1 (0.59) KDM4EHTTLMNAL3MBTL1ALDH1A1

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
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 — — EP disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 — — US disclosed
US-20210128577-A1 Selective HDAC6 Inhibitors ITALFARMACO S.P.A. (IT) 2021-05-06 — — 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-20210128577-A1 Selective HDAC6 Inhibitors HDAC6, HDAC1, HDAC3 KDM4E 308/4885HTT 359/4885LMNA 4062/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 KDM4E 304/4885HTT 346/4885LMNA 4000/4885

“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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