SCHEMBL6164941

SCHEMBL6164941

COC(=O)c1ccccc1-c1cccc(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.57
SLC6A4 P31645 3/20 0.57
SLC6A2 P23975 1/20 0.57
ROCK2 O75116 1/20 0.48
CSF1R P07333 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
ROCK1 Q13464 1/20 0.48
SLK Q9H2G2 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
USP30 Q70CQ3 1/20 0.46
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
ADRA2C P18825 1/20 0.46
MAOB P27338 1/20 0.45
GRM5 P41594 1/20 0.45
CHRM3 P20309 1/20 0.44

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
SCHEMBL27245963 0.85 AR (0.54) SLC6A3SLC6A4SLC6A2XDHSLC22A12
SCHEMBL30285287 0.85 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL5784595 0.84 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL24526 0.83 SLC22A12 (0.44) XDHSLC22A12CHRM3PTGDR2
SCHEMBL5085509 0.82 SLC22A12 (0.61) XDHSLC22A12ADRA2CMAOBHTT
SCHEMBL27843639 0.81 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ROCK2CSF1R
SCHEMBL20703692 0.81 BCAT2 (0.59) CSF1RXDHSLC22A12ADRA2CMAOB
SCHEMBL3139410 0.81 SLC22A12 (0.53) SLKXDHSLC22A12ALDH1A1TSHR
SCHEMBL17461872 0.81 CNR2 (0.46) XDHSLC22A12MEN1MAPTKMT2A
SCHEMBL30285097 0.79 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2ROCK2CSF1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
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 SLC6A3 1676/4885SLC6A4 1964/4885SLC6A2 1912/4885

“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.