SCHEMBL6166428

SCHEMBL6166428

CCOC(=O)c1cn(Cc2cc(C#N)ccc2OC(C)(C)C)cc1-c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
MAPT P10636 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KDM1A O60341 1/20 0.35
CYP19A1 P11511 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6178561 0.84 KCNA5 (0.36) PTGS1PTGS2FNTAFNTBTBXA2R
SCHEMBL7103244 0.80 CYP19A1 (0.44) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL6163470 0.72 NPC1 (0.46) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL7105111 0.71 F2RL3 (0.45) MAPTKMT2AFNTAFNTBKDM1A
SCHEMBL6163480 0.71 POLB (0.44) PTGS1PTGS2FNTAFNTBTDP1
SCHEMBL7108855 0.70 PDE5A (0.43) CNR1MAPTPTGS1PTGS2FNTA
SCHEMBL7102321 0.70 POLB (0.43) PTGS1PTGS2FNTAFNTBKDM1A
SCHEMBL6165250 0.69 FNTA (0.51) MAPTMEN1KMT2AFNTAFNTB
SCHEMBL7108632 0.67 RXFP1 (0.39) FNTAFNTB
SCHEMBL7100618 0.67 POLB (0.44) MAPTPTGS1PTGS2RAB9AFNTA

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 CNR1 481/4885MAPT 4356/4885PTGS1 1222/4885

“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.