SCHEMBL12704580

SCHEMBL12704580

CC1=C(C)C(=O)N(Nc2ccc(C)cc2Cl)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
XPO1 O14980 2/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 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
SCHEMBL8134440 0.84 MAPK1 (0.46) POLBGAAXPO1RAB9AHTT
SCHEMBL8134443 0.81 XPO1 (0.55) GAAXPO1HTTMEN1KMT2A
SCHEMBL12704581 0.81 HPGD (0.42) POLBGAAXPO1RAB9AMEN1
SCHEMBL10642004 0.80 XPO1 (0.51) XPO1RAB9AMEN1KMT2ALMNA
SCHEMBL1592438 0.75 XPO1 (0.43) POLBGAATDP1XPO1RAB9A
SCHEMBL12704578 0.74 XPO1 (0.35) XPO1MEN1KMT2A
SCHEMBL8131482 0.74 RAPGEF4 (0.45) POLBGAAHTTMEN1KMT2A
SCHEMBL28652727 0.72 RAB9A (0.50) POLBGAATDP1RAB9AHTT
SCHEMBL1592575 0.71 LMNA (0.51) POLBXPO1MEN1KMT2ALMNA
SCHEMBL12704592 0.70 XPO1 (0.46) TDP1XPO1MEN1KMT2ALMNA

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-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 POLB 366/4885GAA 2692/4885TDP1 428/4885

“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.