SCHEMBL6164469

SCHEMBL6164469

N#Cc1cccc(-c2ccccc2C(C(N)=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
TNF P01375 1/20 0.46
ADRA2C P18825 1/20 0.45
SLC22A12 Q96S37 2/20 0.42
XDH P47989 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
DCAF1 Q9Y4B6 1/20 0.41
MAOB P27338 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
F11 P03951 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KAT6A Q92794 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL6165960 0.95 TNF (0.48) HPGDSTNFADRA2CSLC22A12XDH
SCHEMBL7108450 0.94 ADRA2C (0.44) HPGDSTNFADRA2CSLC22A12XDH
SCHEMBL7101540 0.86 TNF (0.47) HPGDSTNFADRA2CSLC22A12XDH
SCHEMBL6167048 0.81 IRAK4 (0.40) TNFMAOB
SCHEMBL20703692 0.74 BCAT2 (0.59) TNFADRA2CSLC22A12XDHMAOB
SCHEMBL20529654 0.73 CTSD (0.41) S1PR3
SCHEMBL10094585 0.73 ADRA2C (0.51) ADRA2CMAOBPTGDR2ADORA2AADORA1
SCHEMBL20529655 0.73 MEN1 (0.49) MAOBS1PR3
SCHEMBL31272452 0.72 ADRA2C (0.60) ADRA2CSLC22A12XDHMAOBADORA2A
SCHEMBL3422474 0.72 ADRA2C (0.60) ADRA2CSLC22A12XDHMAOBADORA2A

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 HPGDS 807/4885TNF 2693/4885ADRA2C 1810/4885

“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.