SCHEMBL1387776

SCHEMBL1387776

CCSC(N)=Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 20/20 1.00
NOS3 P29474 18/20 1.00
NOS2 P35228 18/20 1.00

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
SCHEMBL21067846 1.00 NOS1 (1.00) NOS1NOS3NOS2
Bromide SCHEMBL11804676 0.98 NOS1 (0.96) NOS1NOS3NOS2
Iodide SCHEMBL11683524 0.98 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1387463 0.85 NOS1 (1.00) NOS1NOS3NOS2
Iodide SCHEMBL7787922 0.84 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1387538 0.82 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL7788121 0.82 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL7982056 0.81 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1387417 0.81 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1387587 0.80 NOS1 (1.00) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09504278-A 1997-04-28 JP claimed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP claimed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 WO claimed
US-20150148317-A1 SPINAL CORD INJURY, INFLAMMATION, AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2015-05-28 US disclosed
US-20130324509-A1 SPINAL CORD INJURY, INFLAMMATION, AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2013-12-05 US disclosed
US-20130324500-A1 SPINAL CORD INJURY, INFLAMMATION AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2013-12-05 US disclosed
CN-102858353-A Spinal cord injury, inflammation, and immune-disease: local controlled release of therapeutic agents INVIVO THERAPEUTICS CORP 2013-01-02 CN disclosed
US-20100196481-A1 SPINAL CORD INJURY, INFLAMMATION, AND IMMUNE-DISEASE: LOCAL CONTROLLED RELEASE OF THERAPEUTIC AGENTS INVIVO THERAPEUTICS CORPORATION (US) 2010-08-05 US disclosed
WO-2002020834-A2 METHOD FOR THE IDENTIFICATION OF GENES THAT ARE INVOLVED IN THE MODULATION OF A POPTOSIS IN CELLS EIRX THERAPEUTICS LIMITED (IE) 2002-03-14 WO disclosed
US-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors OPLINGER JEFFREY ALAN (US) 2001-10-25 US disclosed
US-6297276-B1 Substituted urea and isothiourea derivatives as no synthase inhibitors GLAXOSMITHKLINE 2001-10-02 US disclosed
US-6225305-B1 Substituted urea and isothiorea derivatives as no synthase inhibitors GLAXO WELLCOME INC. 2001-05-01 US disclosed
US-6090846-A ADMINISTERING S-ETHYL-N-((4-TRIFLUOROMETHYL)PHENYL)ISOTHIOUREA GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
US-5837718-A ANTIHISTAMINES SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1998-11-17 US disclosed
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP disclosed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP disclosed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 WO disclosed
EP-0573542-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H 3?-RECEPTOR. SEED CAPITAL INVESTMENTS (NL) 1993-12-15 EP disclosed
WO-1992015567-A1 IMIDAZOLE-DERIVATIVES HAVING AGONISTIC OR ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENT (SCI) B.V. (NL) 1992-09-17 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-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors NOS1, NOS2, SLC14A1 NOS1 1/4885NOS3 4/4885NOS2 2/4885

“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.