SCHEMBL6763776

SCHEMBL6763776

COC(=O)CCc1cccc(F)c1Sc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
AKR1B1 P15121 3/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
CNR1 P21554 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
VDR P11473 1/20 0.37

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
SCHEMBL6759421 0.85 PTGDR2 (0.43) AKR1B1PTGDR2CNR1
SCHEMBL6763802 0.80 SLC6A4 (0.52) CYP11B1CYP11B2TDP1MAPT
SCHEMBL6762198 0.78 AGBL2 (0.49) SMN1; SMN2CYP11B1CYP11B2AKR1B1PTGDR2
SCHEMBL6761086 0.78 ACKR3 (0.43) SMN1; SMN2CNR1TDP1TP53MAPT
SCHEMBL4982350 0.74 CYP11B1 (0.51) CYP11B1CYP11B2TDP1MAPTGAA
SCHEMBL8910954 0.74 MAPT (0.43) CYP11B1CYP11B2CNR1MAPTGAA
SCHEMBL1444146 0.74 TAAR1 (0.50) SMN1; SMN2HTTTDP1MAPT
SCHEMBL27139325 0.72 TSHR (0.41) SMN1; SMN2HTTTDP1MAPT
SCHEMBL11359843 0.68 TAAR1 (0.49) SMN1; SMN2HTTTDP1MAPT
SCHEMBL10438855 0.68 CYP4F2 (0.58) SMN1; SMN2HTTTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 US 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 (2 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-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 SMN1; SMN2 710/4885HTT 4689/4885CYP11B1 336/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 SMN1; SMN2 710/4885HTT 4689/4885CYP11B1 336/4885

“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.