SCHEMBL8916010

SCHEMBL8916010

CN1CCN(Cc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
DRD3 P35462 3/20 0.58
KCNH2 Q12809 3/20 0.58
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
ELANE P08246 1/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
CTRC Q99895 1/20 0.48
LMNA P02545 1/20 0.47
BRD4 O60885 1/20 0.47
MEN1 O00255 1/20 0.47
MC4R P32245 1/20 0.47

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
SCHEMBL13504002 0.89 L3MBTL1 (0.54) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL16416392 0.86 KMT2A (0.76) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL29450073 0.86 KMT2A (0.76) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL1101970 0.84 KMT2A (0.50) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL6824230 0.82 LMNA (0.45) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL13181440 0.82 KDM4E (0.48) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL22252441 0.81 POLB (0.65) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL4177453 0.80 ADORA2A (0.51) POLBKMT2ADRD3KCNH2LMNA
SCHEMBL1937568 0.80 KDM4E (0.47) POLBKMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL7454333 0.80 DRD3 (0.65) POLBKMT2ACYP2D6CYP2C9CYP2C19

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912974-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 POLB 4226/4885KMT2A 984/4885CYP2D6 339/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 POLB 3851/4885KMT2A 1623/4885CYP2D6 212/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 POLB 2808/4885KMT2A 2349/4885CYP2D6 407/4885

“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.