SCHEMBL10094342

SCHEMBL10094342

CC(C)c1ccccc1-c1cccc(C(=O)NCCN(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.50
CAMK2D Q13557 2/20 0.50
PRKD3 O94806 1/20 0.50
PRKD1 Q15139 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
MAP4K4 O95819 1/20 0.48
EGFR P00533 1/20 0.48
TOP2A P11388 1/20 0.47
PARP1 P09874 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
RAD52 P43351 2/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
SMYD2 Q9NRG4 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL10094338 0.86 FYN (0.48) FYNMAP4K4ALDH1A1SMYD2
SCHEMBL17154227 0.84 FYN (0.49) FYNCAMK2DPRKD3PRKD1PRKD2
SCHEMBL17155168 0.83 CAMK2D (0.52) FYNCAMK2DPRKD3PRKD1PRKD2
SCHEMBL14555813 0.83 FYN (0.52) FYNCAMK2DPRKD3PRKD1PRKD2
SCHEMBL10094526 0.82 KMT2A (0.46) ALDH1A1SMYD2
SCHEMBL27317323 0.81 PARP1 (0.59) FYNCAMK2DPRKD3PRKD1PRKD2
SCHEMBL26378205 0.81 HPGD (0.59) PARP1MMP1MMP2MMP9MMP14
SCHEMBL10094395 0.81 CFD (0.60) MAP4K4EGFRALDH1A1
SCHEMBL23479668 0.79 PDK2 (0.49)
SCHEMBL10094393 0.79 ALDH1A1 (0.52) PARP1ALDH1A1

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-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 FYN 2616/4885CAMK2D 215/4885PRKD3 2309/4885

“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.