SCHEMBL14045189

SCHEMBL14045189

C=C(F)c1ccccc1CC(=O)NC(=S)NCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
HTT P42858 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
SCHEMBL14019868 0.83 EPHX1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL2605729 0.81 RIPK1 (0.50) CA1ALDH1A1KDM4EMAPTALOX12
SCHEMBL14045184 0.79 HPGD (0.49) ALDH1A1SMN1; SMN2HPGDGAAMEN1
SCHEMBL14045079 0.79 CA1 (0.51) CA1CA9ALDH1A1KDM4EMAPT
SCHEMBL2605728 0.76 MEN1 (0.57) ALDH1A1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL14045187 0.75 HTT (0.41) CA1CA9ALDH1A1KDM4EMAPT
SCHEMBL10172594 0.74 ALDH1A1 (0.58) ALDH1A1MAPTALOX12SMN1; SMN2LMNA
SCHEMBL3620889 0.71 KDM4E (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL25673396 0.71 GABRA1 (0.43) ALDH1A1MAPTHPGDGAAHTT
SCHEMBL3618346 0.70 BCAT2 (0.54) KDM4EMAPTLMNAHPGD

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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CA1 4067/4885CA9 2690/4885ALDH1A1 3553/4885

“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.