SCHEMBL6014618

SCHEMBL6014618

NCCc1cccc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.48
NOS2 P35228 5/20 0.48
HRH1 P35367 1/20 0.48
BACE1 P56817 3/20 0.46
APP P05067 1/20 0.44
NOS3 P29474 3/20 0.43
KCNH2 Q12809 2/20 0.40
ASIC3 Q9UHC3 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
MPO P05164 1/20 0.36

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
Hydrochloric Acid SCHEMBL7798240 0.98 NOS1 (0.47) NOS1NOS2HRH1BACE1APP
SCHEMBL4718869 0.87 NOS1 (0.46) NOS1NOS2HRH1BACE1APP
SCHEMBL522064 0.85 HRH1 (0.56) NOS1NOS2HRH1KCNH2TAAR1
SCHEMBL7980764 0.82 NOS1 (0.48) NOS1NOS2BACE1APPNOS3
SCHEMBL317714 0.81
SCHEMBL29907575 0.81
SCHEMBL6454774 0.80 NOS2 (0.47) NOS1NOS2BACE1APPNOS3
SCHEMBL1540707 0.80 NOS2 (0.52) NOS1NOS2BACE1APPNOS3
SCHEMBL19662325 0.80 NOS1 (0.47) NOS1NOS2BACE1APPNOS3
SCHEMBL30391820 0.80 NOS2 (0.47) NOS1NOS2BACE1APPNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO disclosed
US-6528494-B2 Antiinflammatory agents COX BRIAN (GB) 2003-03-04 US disclosed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP disclosed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US disclosed
US-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives COX BRIAN (GB) 2002-07-04 US disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
CN-1246124-A 2- (purin-9-YL) -tetrahydrofuran-3, 4-diol derivatives GLAXO GROUP LTD (GB) 2000-03-01 CN disclosed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 (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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 NOS1 1872/4885NOS2 2646/4885HRH1 1821/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 NOS1 1872/4885NOS2 2646/4885HRH1 1821/4885
US-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives PURB, P2RX3, P2RY2 NOS1 511/4885NOS2 316/4885HRH1 226/4885

“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.