SCHEMBL6167046

SCHEMBL6167046

N#Cc1ccc(NC(=O)Cc2ccccc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 2/20 0.46
LMNA P02545 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL7101534 0.89 LMNA (0.63) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL7108448 0.89 LMNA (0.53) RORCMEN1MAPTKMT2AALDH1A1
SCHEMBL6163952 0.89 LMNA (0.57) RORCMEN1MAPTKMT2AALDH1A1
SCHEMBL6167998 0.81 PTGDR2 (0.55) KMT2A
SCHEMBL18132381 0.81 RORC (0.52) RORCMEN1KMT2AIDO1KDM4E
SCHEMBL8639463 0.81 CYP1A2 (0.63) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6165957 0.79 LMNA (0.64) RORCMEN1MAPTKMT2AALDH1A1
SCHEMBL6163833 0.79 AR (0.44) HPGDHTT
SCHEMBL5443977 0.78 RORC (0.72) RORCMEN1MAPTKMT2AALDH1A1
SCHEMBL6162265 0.75 MMP3 (0.45) TSHR

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 RORC 3186/4885MEN1 3229/4885MAPT 4356/4885

“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.