SCHEMBL5743345

SCHEMBL5743345

Nc1ccc(C2=CC(=O)CCC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
IDO1 P14902 2/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
USP2 O75604 3/20 0.37
MEN1 O00255 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
RGS12 O14924 1/20 0.37
CYP1A2 P05177 1/20 0.37
PARP1 P09874 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37

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
SCHEMBL3734647 0.81 ALDH1A1 (0.43) IDO1MAPTPOLBPARP1ALDH1A1
SCHEMBL29656653 0.81 ALDH1A1 (0.43) IDO1MAPTPOLBPARP1ALDH1A1
SCHEMBL21733906 0.78 PTPN1 (0.44) MAPTPOLBCYP1A2PARP1CYP2C9
SCHEMBL29533046 0.78 PTPN1 (0.44) MAPTPOLBCYP1A2PARP1CYP2C9
SCHEMBL28773698 0.71 KDM4E (0.50) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL31678641 0.70 ALDH1A1 (0.39) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL14124657 0.70 GAA (0.43) MAPTPOLBALDH1A1SMN1; SMN2DYRK1A
SCHEMBL11116210 0.70 PTPN1 (0.44) KMT2AMAPTMEN1POLBPARP1
SCHEMBL679561 0.70 NPC1 (0.47) MAPTPOLBALDH1A1HTTHPGD
SCHEMBL28943980 0.69 CCNE2 (0.50)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690854-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
US-7026476-B2 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-11 US disclosed
US-7019006-B2 Modulating release of inflammatory cytokines by administering, e.g., a 1-(5-tert-butyl-2-methyl-phenyl)-3-(6-((3-methoxy-propyl)-methylaminopyridin-3-yl)phthalen-1-yl) urea or thiourea; treating a neutrophil-mediated disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
EP-1165516-B1 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2004-10-06 EP disclosed
US-6743788-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; AUTOIMMUNE DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-01 US disclosed
EP-1395561-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-10 EP disclosed
US-20040019038-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-01-29 US disclosed
EP-1381594-A1 UREA COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-6660732-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6608052-B2 An mono or polycyclic aromatic or heteroaromatic carbamate or urea or thiacarbamoyl derivatives; inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20030092702-A1 Novel carbamate and oxamide compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-15 US disclosed
WO-2002096876-A1 CARBAMATE AND OXAMIDE COMPOUNDS AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-05 WO disclosed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-20020055507-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-05-09 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-20020032195-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-14 US disclosed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 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 (5 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-20020032195-A1 Compounds useful as anti-inflammatory agents MPO, EPX, PTGES KEAP1 235/4885NFE2L2 67/4885CRHBP 2734/4885
US-20030092702-A1 Novel carbamate and oxamide compounds IFNG, CXCR1, ARG1 KEAP1 2222/4885NFE2L2 1031/4885CRHBP 4176/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO KEAP1 431/4885NFE2L2 96/4885CRHBP 2826/4885
US-20020055507-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO KEAP1 431/4885NFE2L2 96/4885CRHBP 2826/4885
US-20040019038-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO KEAP1 431/4885NFE2L2 96/4885CRHBP 2826/4885

“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.