SCHEMBL6164316

SCHEMBL6164316

CCOC(=O)c1c[nH]cc1-c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
CACNA1F O60840 1/20 0.48
ABCB1 P08183 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
ALOX5 P09917 3/20 0.48
PTGES O14684 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
THRB P10828 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRB2 P47870 1/20 0.47

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
SCHEMBL30407 0.84 JAK2 (0.56) RAB9AALDH1A1MAPTKDM4EMEN1
SCHEMBL6164247 0.83 HTT (0.50) RAB9ANPC1CACNA1FABCB1CACNA1D
SCHEMBL4042415 0.83 TSHR (0.58) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL28791444 0.78 RAB9A (0.52) RAB9ANPC1CACNA1FABCB1CACNA1D
SCHEMBL2673120 0.77 ALDH1A1 (0.50) RAB9AALDH1A1MAPTKDM4EMEN1
SCHEMBL6225292 0.76 KDM4E (0.57) KDM4EHPGDLMNAMAPK1TP53
SCHEMBL31149694 0.75 ALOX5 (0.48) RAB9ANPC1CACNA1FABCB1CACNA1D
SCHEMBL15333820 0.75 JAK2 (0.53) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL8665022 0.74 PRKCZ (0.52) RAB9ANPC1CACNA1DALOX5ALDH1A1
SCHEMBL4491165 0.74 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1MAPTKDM4E

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 RAB9A 2909/4885NPC1 2488/4885CACNA1F 3944/4885

“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.