SCHEMBL732942

SCHEMBL732942

COC(=O)c1ccc2c(c1)nc(C1CC1)n2-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
FGFR1 P11362 1/20 0.54
HSD17B10 Q99714 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.49
SIRT1 Q96EB6 2/20 0.49
CRBN Q96SW2 1/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MGLL Q99685 1/20 0.45
THRB P10828 1/20 0.45
GLA P06280 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 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
SCHEMBL29673066 0.89 HPGD (0.73) HPGDHSD17B10CRBNALDH1A1KDM4E
SCHEMBL541343 0.82 HSD17B10 (0.76) HPGDFGFR1HSD17B10SIRT2SIRT1
SCHEMBL23675332 0.81 HPGD (0.62) HPGDFGFR1CRBNALDH1A1KMT2A
SCHEMBL12089843 0.81 FGFR1 (0.58) HPGDFGFR1HSD17B10SIRT2SIRT1
SCHEMBL23675217 0.81 HPGD (0.74) HPGDHSD17B10CRBNALDH1A1SMN1; SMN2
SCHEMBL6701015 0.76 SIRT2 (0.68) HPGDFGFR1HSD17B10SIRT2SIRT1
SCHEMBL10818327 0.74 SCN9A (0.55) ALDH1A1POLB
SCHEMBL23680609 0.73 HPGD (1.00) HPGDALDH1A1SMN1; SMN2THRB
SCHEMBL8035322 0.72 PPARG (0.65) KDM4E
SCHEMBL31451 0.71 ATM (0.67) HPGDHSD17B10ALDH1A1LMNAATM

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 HPGD 2417/4885FGFR1 774/4885HSD17B10 855/4885

“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.