SCHEMBL530140

SCHEMBL530140

[NH]C(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 3/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP3A4 P08684 2/20 0.64
MAPT P10636 1/20 0.64
KDM4E B2RXH2 1/20 0.64
EPHX2 P34913 1/20 0.64
MMP2 P08253 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
MMP8 P22894 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MAPK1 P28482 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52

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
SCHEMBL1756850 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1757033 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL966686 0.97
SCHEMBL967136 0.92
SCHEMBL8788923 0.86 EPHX1 (0.48) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL968900 0.86
SCHEMBL24308699 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL24308701 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL15093798 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23960132 0.78 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US claimed
US-6030991-A ADJUSTING THE BINDING OF AN ENDOTHELIN PEPTIDE TO ENDOTHELIN A OR, PARTICULARLY, ENDOTHELIN B RECEPTORS, I.E. INHIBITING OR STIMULATING; ANTIINFLAMMATORY AGENT; ASTHMA; KIDNEYS; GASTROINTESTINAL, CARDIOASCULAR DISORDERS; HYPOTENSIVE AGENTS TEXAS BIOTECHNOLOGY CORP. (US) 2000-02-29 US claimed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP claimed
US-5514691-A N-(4-halo-isoxazolyl)-sulfonamides and derivatives thereof that modulate the activity of endothelin IMMUNOPHARMACEUTICS, INC. (US) 1996-05-07 US claimed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP claimed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO claimed
EP-0208022-B1 YELLOW DYE-RELEASING AZO COMPOUNDS FOR USE IN THE PRODUCTION OF DIFFUSION TRANSFER COLOUR IMAGES AGFA-GEVAERT N.V. (BE) 1989-05-17 EP claimed
US-4748108-A Yellow dye-releasing azo compounds for use in the production of diffusion transfer color images AGFA-GEVAERT, N.V. (BE) 1988-05-31 US claimed
EP-0208022-A1 Yellow dye-releasing azo compounds for use in the production of diffusion transfer colour images AGFA-GEVAERT N.V. (BE) 1987-01-14 EP claimed
US-4248788-A INTERMEDIATES TO CINNAMOYLPIPERAZINES AND -HOMOPIPERAZINES DELALANDE S.A. (FR) 1981-02-03 US claimed
US-4178442-A ANTIANGOROUS ACTIVITY DELALANDE S. A. (FR) 1979-12-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS EPHX1 509/4885NPC1 4598/4885SMN1; SMN2 4626/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH EPHX1 1221/4885NPC1 4854/4885SMN1; SMN2 4857/4885

“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.