SCHEMBL28570

SCHEMBL28570

[CH2]c1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
GPR3 P46089 1/20 0.54
PDE10A Q9Y233 1/20 0.52
MAPT P10636 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 2/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP1A2 P05177 1/20 0.45
NQO2 P16083 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL29966674 0.74 NPC1 (0.63) KDM4EGPR3PDE10AMAPTALDH1A1
SCHEMBL29942654 0.74 NPC1 (0.63) KDM4EGPR3PDE10AMAPTALDH1A1
SCHEMBL3076524 0.74 NPC1 (0.63) KDM4EGPR3PDE10AMAPTALDH1A1
SCHEMBL29614829 0.74 NPC1 (0.63) KDM4EGPR3PDE10AMAPTALDH1A1
SCHEMBL57728 0.72 PDE10A (0.54) KDM4EGPR3PDE10AMAPTALDH1A1
SCHEMBL3813 0.72 NCF1 (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL2937 0.71 CYP1A2 (0.57) KDM4EGPR3MAPTALDH1A1HPGD
SCHEMBL195914 0.71 ALDH1A1 (0.50) KDM4EMAPTALDH1A1HSD17B10ALOX15
SCHEMBL25427510 0.70 PDE10A (0.52) KDM4EGPR3PDE10AMAPTALDH1A1
SCHEMBL3366440 0.70 PDE10A (0.52) KDM4EGPR3PDE10AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US claimed
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-25 US claimed
CN-112218860-A Substituted phenylthiouracils, their salts and their use as herbicides 先正达农作物保护股份公司 2021-01-12 CN claimed
CN-112154147-A Substituted phenylthiouracils, their salts and their use as herbicides 先正达农作物保护股份公司 2020-12-29 CN claimed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US claimed
CN-1503801-A Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino [2,3-f] quinoxaline 2004-06-09 CN claimed
US-6730676-B2 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. 2004-05-04 US claimed
US-6730681-B2 ANXIOLYTIC AGENTS AND ANTICONVULSANTS MERCK SHARP & DOHME LTD. 2004-05-04 US claimed
US-6444666-B1 SUCH AS ALZHEIMER'S DISEASE; SUBSTITUTED 1,2,4-TRIAZOLO(4,3-B) PYRIDAZINE DERIVATIVES ARE LIGANDS FOR GABA RECEPTORS; CONVULSANT ACTIVITY IS REDUCED OR ELIMINATED MERCK SHARP & DOHME LTD. (GB) 2002-09-03 US claimed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US claimed
EP-0201221-B1 6-(1-ACYL-1-HYDROXY METHYL) PENICILLANIC ACID DERIVATIVES PFIZER INC. (US) 1990-08-01 EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP 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 (7 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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS KDM4E 1634/4885GPR3 3518/4885PDE10A 1801/4885
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS KDM4E 1634/4885GPR3 3518/4885PDE10A 1801/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KDM4E 904/4885GPR3 1330/4885PDE10A 1950/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885PDE10A 2920/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885PDE10A 2920/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 KDM4E 2081/4885GPR3 1379/4885PDE10A 2920/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS KDM4E 1497/4885GPR3 3544/4885PDE10A 1682/4885

“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.