SCHEMBL2733197

SCHEMBL2733197

CC(C)(C)c1cc(C#N)c(NC(=O)C2CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HTT P42858 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ABL1 P00519 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ BRAF P15056 1/20 0.37

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
SCHEMBL2733186 0.81 ALDH1A1 (0.44) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL10272924 0.78 MAPT (0.58) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL6244966 0.77 ALDH1A1 (0.43) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2733616 0.75 ALDH1A1 (0.41) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL2653851 0.69 SMN1; SMN2 (0.59) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2733030 0.68 MAP2K1 (0.44) SMN1; SMN2CYP1A2
SCHEMBL12851970 0.67 RAB9A (0.62) RAB9ASMN1; SMN2NPC1BRAF
SCHEMBL12949469 0.67 KDM4E (0.56) HTTKDM4E
SCHEMBL10264603 0.67 KDM4E (0.56) HTTKDM4E
SCHEMBL10264698 0.66 RXFP1 (0.44) HTTKDM4E

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 RAB9A 3036/4885ALDH1A1 680/4885SMN1; SMN2 3557/4885

“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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