SCHEMBL6163697

SCHEMBL6163697

CCOC(=O)c1cn(Cc2ccc(C#N)cc2)cc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
MAP2K1 Q02750 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 1/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ELANE P08246 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL6164731 1.00 TSHR (0.45) TSHRMAPTTDP1SMN1; SMN2LMNA
SCHEMBL6166501 0.96 MAPT (0.47) TSHRMAPTTDP1SMN1; SMN2LMNA
SCHEMBL6170882 0.91 MAPT (0.45) TSHRMAPTTDP1SMN1; SMN2LMNA
SCHEMBL6163869 0.91 POLB (0.45) TSHRMAPTTDP1SMN1; SMN2LMNA
SCHEMBL7108857 0.89 POLB (0.46) TSHRSMN1; SMN2MAP2K1ALDH1A1KDM4E
SCHEMBL6163207 0.89 TSHR (0.46) TSHRLMNAALDH1A1KDM4EHSD17B10
SCHEMBL7106877 0.87 PDE3B (0.42) TSHRTDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7100385 0.85 POLB (0.43) MAP2K1ALDH1A1KDM4EHSD17B10PDE3B
SCHEMBL7105719 0.85 POLB (0.47) TSHRSMN1; SMN2PDE3BPDE3AELANE
SCHEMBL6165876 0.84 MAPT (0.39) TSHRMAPTTDP1SMN1; SMN2LMNA

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI TSHR 1192/4885MAPT 4356/4885TDP1 1302/4885

“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.