SCHEMBL730536

SCHEMBL730536

O=C(O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
KDM4E B2RXH2 7/20 0.73
ALDH1A1 P00352 6/20 0.73
SMN1; SMN2 Q16637 4/20 0.69
RXFP1 Q9HBX9 1/20 0.66
POLB P06746 3/20 0.62
TP53 P04637 1/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.49
RECQL P46063 1/20 0.49
USP2 O75604 1/20 0.49
CREBBP Q92793 1/20 0.49
NPC1 O15118 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL348602 0.84 KDM4E (1.00) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL733239 0.83 ALDH1A1 (0.62) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL853240 0.82 KDM4E (1.00) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL733174 0.78 KDM4E (0.70) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL6408825 0.77 ALDH1A1 (0.64) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL23494024 0.73 KDM4E (0.78) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL14075019 0.73 KDM4E (0.77) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL27244151 0.73 KDM4E (0.61) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL27244157 0.73 KDM4E (0.61) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL27244031 0.71 KDM4E (0.76) MAPTKDM4EALDH1A1SMN1; SMN2POLB

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 MAPT 4484/4885KDM4E 3445/4885ALDH1A1 113/4885

“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.