SCHEMBL365975

SCHEMBL365975

Nc1ccc(OCc2ccncc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
LMNA P02545 1/20 0.44
IKBKB O14920 1/20 0.42
APP P05067 1/20 0.41
HTT P42858 1/20 0.41
F2 P00734 1/20 0.41
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NSD2 O96028 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
SCHEMBL4074725 0.86 IDO1 (0.53) IDO1EP300KAT8LTA4HMAPK14
SCHEMBL367776 0.86 CYP11B1 (0.48) ABCB1IDO1EP300KAT8LTA4H
SCHEMBL6175794 0.83 IDO1 (0.44) ABCB1IDO1EP300KAT8LTA4H
SCHEMBL31086650 0.83 IDO1 (0.44) IDO1EP300KAT8LTA4HMAPK14
SCHEMBL1979771 0.83 IDO1 (0.44) IDO1EP300KAT8LTA4HMAPK14
SCHEMBL18567053 0.81 ABCB1 (0.48) ABCB1HSD17B10ALDH1A1SMN1; SMN2PLAU
SCHEMBL13393569 0.80 AOC1 (0.45) IDO1EP300KAT8MAPK14PLAU
SCHEMBL14988643 0.80 APP (0.64) ABCB1LTA4HMAPK14HSD17B10ALDH1A1
SCHEMBL4087525 0.78 MAPT (0.55) LTA4HMAPK14HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL22898278 0.78 PLAU (0.40) IDO1EP300KAT8LTA4HMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 WO disclosed
EP-1200411-B1 PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2005-12-14 EP disclosed
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6894173-B2 Intermediates useful for synthesis of heteroaryl-substituted urea compounds, and processes of making same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-6835832-B2 Catalytic hydrogenation BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-28 US disclosed
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
WO-2003068223-A1 ARYL UREAS WITH RAF KINASE AND ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2003-08-21 WO disclosed
US-6583282-B1 Formation of a urea by reacting an aromatic carbamate with a aromatic amine BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-24 US disclosed
US-20030109703-A1 Polymorph and process for preparing same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-06-12 US disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-1200411-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-02 EP disclosed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
WO-2001004115-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-01-18 WO disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS 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 (4 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-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK7, MAP3K1 ABCB1 2600/4885IDO1 698/4885EP300 1073/4885
US-20030109703-A1 Polymorph and process for preparing same UGT1A1, CYP1A1, CYP1B1 ABCB1 280/4885IDO1 426/4885EP300 1419/4885
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB ABCB1 1672/4885IDO1 210/4885EP300 696/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 ABCB1 2636/4885IDO1 1252/4885EP300 1031/4885

“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.