Sugi Predict

Sugi Predict / Compounds / SCHEMBL396952

SCHEMBL396952

SCHEMBL396952

CCN(CCOc1cnn(Cc2ccccc2)c(=O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.49
▸ PTGS1 P23219 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL1901773 0.86 MCHR1 (0.41) MCHR1PTGS1LMNAMAPK1SMN1; SMN2
SCHEMBL6575798 0.80 MCHR1 (0.35) MCHR1PTGS1LMNAMAPK1SMN1; SMN2
SCHEMBL8783937 0.80 PTGS1 (0.47) MCHR1PTGS1HSD17B10POLB
SCHEMBL8783353 0.78 PTGS1 (0.45) MCHR1PTGS1ALDH1A1TSHRHSD17B10
SCHEMBL3602607 0.78 PTGS1 (0.46) MCHR1PTGS1LMNAALDH1A1
SCHEMBL3128916 0.78 PTGS1 (0.46) MCHR1PTGS1LMNASMN1; SMN2ALDH1A1
SCHEMBL9572963 0.78 L3MBTL1 (0.48) MCHR1PTGS1SMN1; SMN2ALDH1A1POLB
SCHEMBL9520130 0.77 MCHR1 (0.43) MCHR1PTGS1SMN1; SMN2POLB
SCHEMBL6233458 0.77 MAPK14 (0.57) MCHR1PTGS1
SCHEMBL9299413 0.74 HPGD (0.50) MAPK1SMN1; SMN2ALDH1A1NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-04-07 — — US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 — — EP disclosed
EP-3917928-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ISAGRO S.p.A. (IT) 2021-12-08 — — EP disclosed
WO-2020222118-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF. ISAGRO S.P.A. (IT) 2020-11-05 — — WO disclosed
US-20200281208-A1 USE OF CRYSTALLINE FORMS OF COPPER SALICYLATE FOR THE CONTROL OF PHYTOPATHOGENIC BACTERIA ISAGRO S.P.A. (IT) 2020-09-10 — — US disclosed
WO-2020157668-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ISAGRO S.P.A. (IT) 2020-08-06 — — WO disclosed
EP-3352570-B1 HETEROCYCLIC TRIFLUOROALKENYL COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO SPA (IT) 2020-04-08 — — EP disclosed
EP-3436433-B1 DERIVATIVES OF PYRROLE-2,5-DIONES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND USE THEREOF. ISAGRO SPA (IT) 2020-01-22 — — EP disclosed
US-10464893-B2 Derivatives of pyrrole-2,5-diones having a fungicidal activity, their agronomical compositions and use thereof ISAGRO S.P.A (IT) 2019-11-05 — — US disclosed
EP-3393248-B1 USE OF CRYSTALLINE FORMS OF COPPER SALICYLATE FOR THE CONTROL OF PHYTOPATHOGENIC BACTERIA ISAGRO SPA (IT) 2019-08-14 — — EP disclosed
EP-1235813-A1 HYDROXAMIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2002-09-04 — — EP disclosed
WO-2002050035-A2 INSECTICIDAL AND FUNGICIDAL (2,6-DICHLORO-4-PYRIDYL) METHYLCARBAMATES USED AS PLANT PROTECTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2002-06-27 — — WO disclosed
US-6403622-B1 FOR CONTROLLING INSECTS, ARACHNIDS, NEMATODES BAYER AKTIENGESELLSCHAFT (DE) 2002-06-11 — — US disclosed
EP-1173425-A1 (-)-ENANTIOMER OF THE 2- 2-(1- CHLOROCYCLOPROPYL)-3- (2-CHLOROPHENYL) -2- HYDROXYPROPYL] -2,4- DIHYDRO- 1,2,4] -TRIAZOLE -3-THIONE Bayer Aktiengesellschaft (DE) 2002-01-23 — — EP disclosed
US-6310005-B1 FUNGICIDES, PESTICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-30 — — US disclosed
EP-1114038-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES Bayer Aktiengesellschaft (DE) 2001-07-11 — — EP disclosed
WO-2001045512-A1 PEST CONTROL AGENTS / DEPSIPEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 — — WO disclosed
WO-2001036393-A1 HYDROXAMIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 — — WO disclosed
WO-2000063188-A1 (-)-ENANTIOMER OF THE 2-[2-(1- CHLOROCYCLOPROPYL)-3- (2-CHLOROPHENYL) -2- HYDROXYPROPYL] -2,4- DIHYDRO- [1,2,4] -TRIAZOLE -3-THIONE BAYER AKTIENGESELLSCHAFT (DE) 2000-10-26 — — WO disclosed
WO-2000015622-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 — — 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 (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-10464893-B2 Derivatives of pyrrole-2,5-diones having a fungicidal activity, their agronomical compositions and use thereof CYP51A1, DDT, DHPS MCHR1 3497/4885PTGS1 1875/4885LMNA 4194/4885
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ACHE, XDH, TYMP MCHR1 3239/4885PTGS1 2238/4885LMNA 1519/4885

“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.