SCHEMBL732851

SCHEMBL732851

CS(=O)(=O)Nc1ccc(-c2c[c]cc(-c3nnn[nH]3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF11 P52732 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38

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
SCHEMBL733019 0.77 MEN1 (0.39) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL730958 0.76 RAB9A (0.33) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL731210 0.76 CTSS (0.41) PLK4JAK2ATR
SCHEMBL733059 0.76 NPC1 (0.40) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL730434 0.71 FYN (0.50) HPGDTP53KMT2AMEN1ALDH1A1
SCHEMBL731099 0.71 NPC1 (0.39) HPGDKMT2AALDH1A1KDM4EGAA
SCHEMBL730987 0.70 SCN5A (0.40) ALDH1A1KDM4EGAAMAPT
SCHEMBL731569 0.70 F2RL3 (0.34) TP53KMT2AMEN1ALDH1A1KDM4E
SCHEMBL732877 0.68 BTK (0.34) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL732981 0.68 IDO1 (0.40) TP53KMT2AMEN1KDM4EGAA

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 2417/4885TP53 2365/4885KMT2A 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.