SCHEMBL5247238

SCHEMBL5247238

CC(C)(C)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
MAPT P10636 11/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.62
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL22456590 0.85 MAPT (0.66) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL26234109 0.83 MAPT (0.64) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL4039191 0.82 MAPT (0.66) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL22455983 0.82 MAPT (0.62) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL19204113 0.82 MAPT (0.62) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL5251938 0.80 MEN1 (0.50) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL19939534 0.80 MAPT (0.62) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL29482111 0.80 MAPT (0.62) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL1958872 0.80 MAPT (0.62) RAB9AMAPTPOLBPKMKDM4E
SCHEMBL737318 0.79 MEN1 (0.62) RAB9AMAPTPOLBPKMKDM4E

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
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-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20030125354-A1 Compounds use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-07-03 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
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 (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-20030125354-A1 Compounds use as anti-inflammatory agents EPX, MPO, RELA RAB9A 1943/4885MAPT 3063/4885POLB 2419/4885

“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.