SCHEMBL12859331

SCHEMBL12859331

COc1ccc(-c2c(C(C)(C)C)c(C)nn2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
PKM P14618 2/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL12859323 0.83 LMNA (0.38) MAPK14GRM5KDM4EALDH1A1LMNA
SCHEMBL12859325 0.83 ATM (0.40) ATMTGFBR1MAPK14KDM4CGRM5
SCHEMBL12859348 0.82 ALDH1A1 (0.41) KDM4CKDM4EALDH1A1NPSR1TSHR
SCHEMBL12859317 0.81 PDE2A (0.42) GRM5KDM4EALDH1A1LMNANPSR1
SCHEMBL14996606 0.80 GRM5 (0.48) ATMTGFBR1MAPK14KDM4CGRM5
SCHEMBL12859309 0.80 MAPT (0.46) GRM5KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL12859337 0.78 PDE2A (0.46) GRM5KDM4ENPC1RAB9A
SCHEMBL16200081 0.78 BACE1 (0.45) ATMTGFBR1MAPK14KDM4CGRM5
SCHEMBL12871642 0.75 KDM4E (0.42) ATMKDM4CGRM5KDM4EALDH1A1
SCHEMBL4343263 0.73 BACE1 (0.52) ATMKDM4CGRM5KDM4EALDH1A1

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 ATM 377/4885TGFBR1 2814/4885MAPK14 2248/4885

“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.