SCHEMBL6162557

SCHEMBL6162557

CCOC(=O)c1c[nH]cc1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
PDE3B Q13370 5/20 0.57
PDE3A Q14432 5/20 0.57
TSHR P16473 3/20 0.54
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRB2 P47870 1/20 0.52
MAPT P10636 4/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL2656768 0.90 GABRA1 (0.58) SMN1; SMN2PDE3BPDE3ATSHRGABRA1
SCHEMBL4532434 0.84 ALDH1A1 (0.52) SMN1; SMN2TSHRMAPTALDH1A1HSD17B10
SCHEMBL6165003 0.83 AR (0.47) SMN1; SMN2PDE3BPDE3ATSHRMAPT
SCHEMBL3642333 0.83 TSHR (0.65) SMN1; SMN2PDE3BPDE3ATSHRGABRA1
SCHEMBL6163307 0.82 SMN1; SMN2 (0.47) SMN1; SMN2PDE3BPDE3ATSHRMAPT
Bicarbonate SCHEMBL27544354 0.81 TSHR (0.62) SMN1; SMN2PDE3BPDE3ATSHRGABRA1
SCHEMBL9292169 0.81 CYP3A4 (0.58) SMN1; SMN2PDE3BPDE3ATSHRMAPT
SCHEMBL6165264 0.81 PDE3B (0.47) SMN1; SMN2PDE3BPDE3ATSHRGABRA1
SCHEMBL4046233 0.80 TSHR (0.53) TSHRGABRA1GABRB2MAPTALDH1A1
SCHEMBL10792105 0.78 TSHR (0.57) SMN1; SMN2PDE3BPDE3ATSHRMAPT

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 SMN1; SMN2 3889/4885PDE3B 211/4885PDE3A 172/4885

“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.