SCHEMBL731107

SCHEMBL731107

FC(F)Oc1c[c]cc(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
TSHR P16473 2/20 0.37
ATM Q13315 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 3/20 0.36
LTB4R Q15722 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL732707 0.77 MEN1 (0.53) MEN1KMT2ATSHRATMMAPT
SCHEMBL732666 0.75 MAPK1 (0.54) MEN1KMT2ATSHRATMMAPT
SCHEMBL732423 0.74 MEN1 (0.62) MEN1KMT2ATSHRATMMAPT
SCHEMBL731199 0.72 NPC1 (0.54) MEN1KMT2ATSHRATMMAPT
SCHEMBL21801438 0.71 PDE10A (0.30)
SCHEMBL732652 0.66 MEN1 (0.48) MEN1KMT2ATSHRATMMAPT
SCHEMBL28133165 0.66 KDM4E (0.45) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL733296 0.63 NPC1 (0.47) MEN1KMT2AMAPTRAB9ANPSR1
SCHEMBL21436333 0.62 F2RL3 (0.32)
SCHEMBL730718 0.62 MEN1 (0.53) MEN1KMT2ATSHRATMMAPT

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 MEN1 2567/4885KMT2A 3686/4885TSHR 680/4885

“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.