SCHEMBL5247476

SCHEMBL5247476

Nc1ccc(C#CCOC2CCCCO2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
GRM5 P41594 1/20 0.37
RORC P51449 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GCK P35557 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
DHFR P00374 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30

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
SCHEMBL8284426 0.79 GRM5 (0.37) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL80199 0.78 KDM4C (0.38) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL14459299 0.76 GCK (0.37) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL14476044 0.76 KDM4C (0.43) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL18465036 0.75 GRM5 (0.39) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL5990774 0.74 GRM5 (0.44) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL31419836 0.72 HTR2A (0.45) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL30740345 0.72 GRM5 (0.46) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL18196418 0.71 KDM4C (0.39) KDM4CGRM5RORCMEN1KMT2A
SCHEMBL18188279 0.71 KDM4C (0.39) KDM4CGRM5RORCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232150-B1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2007-10-10 EP disclosed
EP-1232150-B1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2007-10-10 EP disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 US disclosed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-20030125354-A1 Compounds use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-03 US disclosed
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 US disclosed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
EP-1232150-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-08-21 EP disclosed
WO-2001036403-A1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-05-25 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 (2 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-20030125354-A1 Compounds use as anti-inflammatory agents EPX, MPO, RELA KDM4C 2842/4885GRM5 610/4885RORC 18/4885
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 KDM4C 1160/4885GRM5 831/4885RORC 109/4885

“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.