SCHEMBL6162265

SCHEMBL6162265

N#Cc1ccc(-c2ccccc2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.45
ADRA2C P18825 1/20 0.45
PDE10A Q9Y233 1/20 0.44
TSHR P16473 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ESR2 Q92731 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
PDK2 Q15119 2/20 0.42
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAOB P27338 3/20 0.40
DPP4 P27487 1/20 0.39
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 1/20 0.38
MAOA P21397 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
SCHEMBL6165065 0.83 DPP4 (0.62) MMP3ADRA2CTSHRESR2PTGDR2
SCHEMBL4935794 0.83 ADRA2C (0.44) MMP3ADRA2CTSHRESR2PTGDR2
SCHEMBL8472098 0.83 CYP2A6 (0.48) ADRA2CPDE10ATSHRPTGDR2MAOB
SCHEMBL6163112 0.83 ADRA2C (0.44) MMP3ADRA2CTSHRESR2PTGDR2
SCHEMBL6166155 0.82 ADRA2C (0.68) ADRA2CTSHRPDCD1CD274PTGDR2
SCHEMBL6167998 0.81 PTGDR2 (0.55) MMP3PTGDR2LTB4R2
SCHEMBL31463164 0.81 TSHR (0.57) MMP3TSHRESR2PDK2CA12
SCHEMBL28848262 0.80 ADRA2C (0.49) MMP3ADRA2CTSHRPTGDR2MAOB
SCHEMBL18436288 0.79 KMT2A (0.41) ADRA2CTSHRPTGDR2MAOBCYP11B2
SCHEMBL10604846 0.79 GABRA1 (0.43) MMP3ADRA2CTSHRESR2PTGDR2

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 MMP3 210/4885ADRA2C 1810/4885PDE10A 667/4885

“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.