SCHEMBL2733186

SCHEMBL2733186

CCC(=O)Nc1sc(C(C)(C)C)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ POLB P06746 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL6244966 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ARXFP1KMT2A
SCHEMBL2733616 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ARXFP1KMT2A
SCHEMBL2733197 0.81 RAB9A (0.45) ALDH1A1SMN1; SMN2RAB9ACYP1A2HPGD
SCHEMBL14424854 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ARXFP1KMT2A
SCHEMBL2732431 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL2733030 0.70 MAP2K1 (0.44) SMN1; SMN2KMT2AMEN1CYP1A2LMNA
SCHEMBL14425114 0.67 LMNA (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL8351467 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL13713684 0.66 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL4836303 0.66 KDM4E (0.34) ALDH1A1CYP1A2HPGDKDM4EUSP2

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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 (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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885SMN1; SMN2 3557/4885RAB9A 3036/4885

“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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