SCHEMBL732894

SCHEMBL732894

O=C(O)c1ccc2c(-c3ccccc3)nn(-c3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DGAT2 Q96PD7 1/20 0.49
PTGER1 P34995 8/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FGFR1 P11362 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RPA1 P27694 1/20 0.46
MAPT P10636 1/20 0.45
RARG P13631 1/20 0.44
KHK P50053 1/20 0.44

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
SCHEMBL31633090 0.83 ESR1 (0.53) DGAT2PTGER1
SCHEMBL6136884 0.81 RORC (0.66) RORCPTGER1HPGDRARG
SCHEMBL732828 0.81 HPGD (0.58) RORCMEN1KMT2APTGER1KDM4E
SCHEMBL1513086 0.79 PTGER1 (0.80) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL20166351 0.77 DGAT2 (0.68) DGAT2
SCHEMBL5487133 0.76 PDE5A (0.54) MEN1KMT2APTGER1KDM4ENPC1
SCHEMBL6137028 0.76 RORC (0.59) RORCPTGER1ALDH1A1HPGDRARG
SCHEMBL20166434 0.76 DGAT2 (0.73) DGAT2
SCHEMBL348428 0.76 DGAT2 (0.62) MEN1KMT2ADGAT2
SCHEMBL6137004 0.75 PLA2G10 (0.51) RORCMEN1KMT2APTGER1KDM4E

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 RORC 452/4885MEN1 2567/4885KMT2A 3686/4885

“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.