SCHEMBL733150

SCHEMBL733150

COC(=O)c1cc(-c2ccccc2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GAA P10253 1/20 0.44
AXL P30530 2/20 0.43
EGFR P00533 1/20 0.43
SGK1 O00141 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
TSHR P16473 1/20 0.42
NR4A2 P43354 1/20 0.40
NEK1 Q96PY6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CDK8 P49336 1/20 0.38

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
SCHEMBL3658350 0.88 MAPT (0.45) GAAALDH1A1KDM4ESMN1; SMN2CA12
SCHEMBL2512905 0.88 KDM4E (0.48) GAAEGFRSGK1CAMKK2ALDH1A1
SCHEMBL1505455 0.85 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3AXL
SCHEMBL733156 0.85 DHODH (0.49) AXLEGFRALDH1A1KDM4ESMN1; SMN2
SCHEMBL3655959 0.84 ADORA3 (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL733469 0.82 GAA (0.48) GABRG2GABRB3GABRA5GABRA3GAA
SCHEMBL730918 0.81 LMNA (0.50) TSHRNR4A2ALDH1A1SMN1; SMN2
SCHEMBL4257678 0.81 TSHR (0.63) GABRG2GABRB3GABRA5GABRA3GAA
SCHEMBL3656280 0.79 ALDH1A1 (0.38) NEK1ALDH1A1KDM4ESMN1; SMN2CDK8
SCHEMBL2834492 0.79 KDM4E (0.56) GAATSHRALDH1A1KDM4ESMN1; SMN2

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 GABRG2 4088/4885GABRB3 2572/4885GABRA5 3321/4885

“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.