SCHEMBL3462087

SCHEMBL3462087

CC(O)c1c(C#N)cccc1C[O]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MAOB P27338 1/20 0.33
RAB9A P51151 2/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
NOTUM Q6P988 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL84268 0.74 CYP3A4 (0.41) TSHRALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL23735874 0.74 L3MBTL1 (0.38) TSHRL3MBTL1SMN1; SMN2MAPK1SLC6A2
SCHEMBL807524 0.73 TSHR (0.46) TSHRALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL15417412 0.72 TSHR (0.38) TSHRALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL483553 0.72 CYP19A1 (0.46) TSHRALDH1A1SMN1; SMN2RAB9AGALR3
SCHEMBL28044155 0.71 GABRA1 (0.39) TSHRALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL6958245 0.71 CA1 (0.37) TSHRALDH1A1SMN1; SMN2MAOBRAB9A
SCHEMBL15018240 0.69 NOTUM (0.36) TSHRALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7674083 0.69 TSHR (0.41) TSHRALDH1A1RAB9AGAANPC1
SCHEMBL28046785 0.68 SLC6A2 (0.43) TSHRALDH1A1L3MBTL1SMN1; SMN2MAPK1

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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 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-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TSHR 4714/4885ALDH1A1 2159/4885L3MBTL1 2781/4885

“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.