SCHEMBL1683455

SCHEMBL1683455

COc1cnc2c(c1)cc(C)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CXCR2 P25025 1/20 0.43
AGTR1 P30556 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CD4 P01730 2/20 0.42
ALDH1A1 P00352 4/20 0.42
NFKBIA P25963 1/20 0.42
HTT P42858 2/20 0.41
ALDH3A1 P30838 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL1683406 0.90 HTR6 (0.46) KDM4EMAPTLMNATSHRMEN1
SCHEMBL23147752 0.86 NOD2 (0.47) KDM4EMAPTLMNATSHRMEN1
SCHEMBL26969492 0.85 ALDH3A1 (0.44) KDM4EMAPTLMNATSHRHPGD
SCHEMBL29606592 0.81 ENPP3 (0.54) KDM4EMAPTLMNATSHRMEN1
SCHEMBL9959520 0.81 L3MBTL1 (0.59) KDM4EMAPTLMNATSHRMEN1
SCHEMBL1683456 0.80 KEAP1 (0.39) KDM4EMAPTLMNATSHRMEN1
SCHEMBL22494274 0.77 HTR6 (0.44) KDM4EMAPTTSHRMEN1KMT2A
SCHEMBL1713506 0.75 L3MBTL1 (0.62) KDM4EMAPTLMNATSHRMEN1
SCHEMBL23916331 0.75 NPC1 (0.46) KDM4EMEN1KMT2ASMN1; SMN2CD4
SCHEMBL30539177 0.75 CD4 (0.36) MAPTLMNACD4ALDH3A1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
US-20060058304-A1 Azaindole kinase inhibitors BHIDE RAJEEV S 2006-03-16 US disclosed
US-6969717-B2 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-29 US disclosed
US-20040063707-A1 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US 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 (3 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-20040063707-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDM4E 830/4885MAPT 4363/4885LMNA 4650/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KDM4E 842/4885MAPT 4288/4885LMNA 4696/4885
US-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 KDM4E 2260/4885MAPT 3363/4885LMNA 3608/4885

“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.