SCHEMBL23317015

SCHEMBL23317015

CC(C)c1cc(-c2cccs2)n(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
FABP3 P05413 3/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.39
FABP4 P15090 2/20 0.39
KCNJ6 P48051 2/20 0.39
KCNJ5 P48544 2/20 0.39
KCNJ3 P48549 2/20 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
SCHEMBL28880248 0.82 FABP3 (0.46) ALDH1A1GAASMN1; SMN2FABP3HPGD
SCHEMBL27796494 0.81 PTGS2 (0.39) ALDH1A1SMN1; SMN2FABP3HPGDHTT
SCHEMBL27977719 0.78 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2FABP3HPGDHTT
SCHEMBL24486481 0.78 CNR1 (0.47) ALDH1A1SMN1; SMN2FABP3HPGDHTT
SCHEMBL27796491 0.75 RXFP1 (0.40) ALDH1A1GAASMN1; SMN2FABP3HPGD
SCHEMBL15070247 0.74 KDM4E (0.50) ALDH1A1SMN1; SMN2FABP3HPGDNPSR1
SCHEMBL27907524 0.73 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2HPGDHTT
SCHEMBL20681363 0.72 ALDH1A1 (0.62) ALDH1A1GAASMN1; SMN2MAPK13MAPK12
SCHEMBL10637926 0.72 MEN1 (0.52) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL12000462 0.72 KMT2A (0.53) ALDH1A1GAAFABP3MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 104/4885GAA 90/4885SMN1; SMN2 1607/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 ALDH1A1 119/4885GAA 86/4885SMN1; SMN2 1667/4885

“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.