SCHEMBL3955367

SCHEMBL3955367

CC(C)c1ccccc1-c1ccccc1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NSD2 O96028 1/20 0.44
EGFR P00533 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.37
FAAH O00519 1/20 0.37
CYP1A2 P05177 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
SCHEMBL3961569 0.84 MAPT (0.50) ALDH1A1MAPTLMNAL3MBTL1NSD2
SCHEMBL5227537 0.82 GABRA1 (0.46) ALDH1A1MAPTLMNAL3MBTL1NSD2
SCHEMBL29414063 0.82 GABRA1 (0.55) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL167078 0.82 GABRA1 (0.55) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL2919461 0.82 MAPT (0.52) ALDH1A1MAPTLMNAL3MBTL1NSD2
Hydrochloric Acid SCHEMBL2866667 0.80 GABRA1 (0.44) ALDH1A1MAPTLMNAL3MBTL1NSD2
SCHEMBL9174922 0.79 GABRA1 (0.52) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL3962477 0.78 ALDH1A1 (0.45) ALDH1A1MAPTLMNAL3MBTL1NSD2
Hydrogen Peroxide SCHEMBL9644435 0.77 GABRA1 (0.56) LMNAGABRA1GABRB2CA1CA2
SCHEMBL3893551 0.73 MAPT (0.41) ALDH1A1MAPTLMNAL3MBTL1NSD2

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 4 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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO 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 ALDH1A1 2989/4885MAPT 2696/4885LMNA 815/4885

“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.