SCHEMBL732754

SCHEMBL732754

COC(=O)c1c[c]cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
KAT6A Q92794 1/20 0.45
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SIRT5 Q9NXA8 1/20 0.41
ERN1 O75460 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ADAMTS4 O75173 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GRM5 P41594 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL7822720 0.87 PLAU (0.61) PLAUKAT6AXDHSLC22A12MRGPRX4
SCHEMBL6659038 0.83 PLAU (0.60) PLAUKAT6AXDHSLC22A12EGLN1
SCHEMBL7717556 0.81 PLAU (0.50) PLAUKAT6AXDHSLC22A12EGLN1
SCHEMBL4284892 0.81 TSHR (0.53) PLAUCA12CA1CA2CA9
SCHEMBL6288448 0.78 PLAU (0.47) PLAUKAT6AXDHSLC22A12EGLN1
SCHEMBL6751413 0.78 PLAU (0.47) PLAUKAT6AXDHSLC22A12EGLN1
SCHEMBL60040 0.78 MRGPRX4 (0.56) PLAUMRGPRX4CYP11B1CYP11B2GRM5
SCHEMBL30444713 0.78 MRGPRX4 (0.56) PLAUMRGPRX4CYP11B1CYP11B2GRM5
SCHEMBL4292695 0.78 CA1 (0.41) PLAUXDHMRGPRX4CA12CA1
SCHEMBL7825418 0.77 PLAU (0.67) PLAUKAT6AMRGPRX4CA12CA1

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 PLAU 4523/4885KAT6A 1348/4885XDH 1592/4885

“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.