SCHEMBL12859319

SCHEMBL12859319

Cc1ccc(-c2c(C(C)(C)C)c(Cl)nn2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 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
SCHEMBL12859318 0.88 CNR1 (0.40) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL12859345 0.87 KIF11 (0.39) ALDH1A1KDM4ETDP1HPGDPOLB
SCHEMBL12859307 0.85 RECQL (0.40) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL12859323 0.83 LMNA (0.38) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL12859333 0.83 TDP2 (0.39) TDP2GRM5HTR2AHTR2CHTR2B
SCHEMBL12859325 0.83 ATM (0.40) L3MBTL1ALDH1A1KDM4EPTGS2MAPT
SCHEMBL23401734 0.80 GRM5 (0.36) ALDH1A1KDM4EPTGS2MAPTLMNA
SCHEMBL14996540 0.79 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EPTGS2MAPT
SCHEMBL12859317 0.77 PDE2A (0.42) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL12856369 0.73 NPC1 (0.40) ALDH1A1KDM4EMAPTGRM5TDP1

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-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 — — US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 — — 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-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS L3MBTL1 131/4885ALDH1A1 1163/4885KDM4E 371/4885

“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.

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