SCHEMBL179350

SCHEMBL179350

CC(C)c1cnc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.41
NOS2 P35228 4/20 0.41
NOS1 P29475 3/20 0.41
HSP90AA1 P07900 1/20 0.35
CHRNA7 P36544 1/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 2/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
APLNR P35414 2/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL30502967 1.00 NOS3 (0.41) NOS3NOS2NOS1HSP90AA1CHRNA7
SCHEMBL5950443 0.86 NOS3 (0.33) NOS3NOS2NOS1CHRNA7APLNR
SCHEMBL18855211 0.80 NOS3 (0.34) NOS3NOS2NOS1HSP90AA1
SCHEMBL3513238 0.80 APLNR (0.35) NOS3NOS2NOS1HSP90AA1ALOX5AP
SCHEMBL2611022 0.77 NOS3 (0.31) NOS3NOS2NOS1
SCHEMBL14669294 0.77 NOS3 (0.35) NOS3NOS2NOS1HSP90AA1FEN1
SCHEMBL19618129 0.76 GABRP (0.32) ALOX5APFEN1APLNR
SCHEMBL16680466 0.75 ESR1 (0.33) NOS3NOS2NOS1ALOX5APFEN1
SCHEMBL24966653 0.74 APLNR (0.33) APLNR
SCHEMBL21193468 0.74 HSP90AA1 (0.35) NOS3NOS2NOS1HSP90AA1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741018-A2 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2026-05-13 EP disclosed
US-12583836-B2 Sulphonamide compounds Anaxis Pharma Pty Ltd (AU) 2026-03-24 US disclosed
EP-4168401-B1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2026-01-07 EP disclosed
US-20250074891-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2025-03-06 US disclosed
US-20240360120-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2024-10-31 US disclosed
EP-4452966-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2024-10-30 EP disclosed
EP-3938358-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2024-10-02 EP disclosed
CN-118434744-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-08-02 CN disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US 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 (9 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R NOS3 1921/4885NOS2 2679/4885NOS1 2677/4885
US-20250074891-A1 BIFUNCTIONAL SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP9 NOS3 542/4885NOS2 489/4885NOS1 364/4885
US-12583836-B2 Sulphonamide compounds MLKL, RIPK3, CASP1 NOS3 246/4885NOS2 504/4885NOS1 131/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NOS3 1695/4885NOS2 1415/4885NOS1 2496/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 NOS3 1074/4885NOS2 1089/4885NOS1 422/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NOS3 1695/4885NOS2 1415/4885NOS1 2496/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 NOS3 3275/4885NOS2 3482/4885NOS1 2232/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 NOS3 1318/4885NOS2 1075/4885NOS1 1279/4885
US-20240360120-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L NOS3 4221/4885NOS2 3910/4885NOS1 3459/4885

“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.