SCHEMBL732982

SCHEMBL732982

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
SCN9A Q15858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FGFR1 P11362 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 2/20 0.44
KIF11 P52732 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL31632935 0.87 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2LMNASCN9A
SCHEMBL732828 0.86 HPGD (0.58) ALDH1A1HPGDSMN1; SMN2SCN9AKDM4E
SCHEMBL31522420 0.84 CMKLR1 (0.52) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL31633182 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2SCN9AFGFR1
SCHEMBL31522481 0.82 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2LMNATP53
SCHEMBL24976040 0.79 TGFBR1 (0.47) ALDH1A1HPGDSMN1; SMN2TP53SCN9A
SCHEMBL23559707 0.79 ADORA2A (0.47) ALDH1A1HPGDSMN1; SMN2LMNATP53
SCHEMBL23559702 0.78 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL7426182 0.78 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL24337979 0.78 CA12 (0.46) ALDH1A1HPGDSMN1; SMN2SCN9AKDM4E

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 11 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
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
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US 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
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US 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
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 ALDH1A1 113/4885HPGD 2417/4885SMN1; SMN2 3531/4885

“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.