SCHEMBL13619974

SCHEMBL13619974

CCC(C)NC(=S)NC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CTSL P07711 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
ALPL P05186 1/20 0.42
HDAC4 P56524 2/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STAT3 P40763 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL169873 0.86 ALDH1A1 (0.59) ALDH1A1CTSLSMN1; SMN2HTTL3MBTL1
SCHEMBL14817498 0.81 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HTTL3MBTL1GAA
SCHEMBL172001 0.79 HDAC4 (0.50) ALDH1A1SMN1; SMN2HTTL3MBTL1HDAC4
SCHEMBL14019859 0.76 EPHX1 (0.56) ALDH1A1SMN1; SMN2HTTL3MBTL1GAA
SCHEMBL13620071 0.74 GAA (0.51) ALDH1A1SMN1; SMN2HTTL3MBTL1GAA
SCHEMBL19531832 0.74 ALDH1A1 (0.79) ALDH1A1CTSLSMN1; SMN2HTTL3MBTL1
SCHEMBL31445283 0.73 ALDH1A1 (0.54) ALDH1A1CTSLSMN1; SMN2HTTL3MBTL1
SCHEMBL17993499 0.72 HDAC4 (0.53) ALDH1A1SMN1; SMN2HTTL3MBTL1GAA
SCHEMBL24571257 0.72 THRB (0.51) ALDH1A1HTTL3MBTL1GAAALPL
SCHEMBL2363240 0.71 HDAC4 (0.59) ALDH1A1SMN1; SMN2HTTL3MBTL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885CTSL 4233/4885SMN1; SMN2 3577/4885

“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.