SCHEMBL733156

SCHEMBL733156

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.49
KMO O15229 1/20 0.49
EGFR P00533 1/20 0.45
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
CTRC Q99895 1/20 0.40
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AXL P30530 1/20 0.39
FABP1 P07148 1/20 0.39
P2RY14 Q15391 1/20 0.39

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
SCHEMBL2513525 0.88 EGFR (0.47) EGFRTP53KDM4ENPC1ALDH1A1
SCHEMBL2516837 0.88 DHODH (0.46) DHODHKMOEGFRKDM4EALDH1A1
SCHEMBL2513559 0.87 ALOX15 (0.36) DHODHTP53MAPK1MAP2K4MAPKAPK3
SCHEMBL3654429 0.87 DHODH (0.50) DHODHMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL3652199 0.87 CTRC (0.47) DHODHMAP2K4CTRCP2RY14
SCHEMBL733150 0.85 GABRG2 (0.44) EGFRKDM4EALDH1A1SMN1; SMN2AXL
SCHEMBL3656184 0.85 ADORA2A (0.40) DHODHKMOCD74MIFKDM4E
SCHEMBL30425732 0.84 CD74 (0.53) KMOMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL939586 0.84 CD74 (0.53) KMOMAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL3650536 0.84 ALPL (0.48) KDM4ENPC1ALDH1A1HPGDRAB9A

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 DHODH 3182/4885KMO 875/4885EGFR 3322/4885

“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.