SCHEMBL1848834

SCHEMBL1848834

COC(=O)c1sccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
SLC10A6 Q3KNW5 1/20 0.56
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 2/20 0.50
MAPK10 P53779 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PARP14 Q460N5 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL7707955 0.80 NPC1 (0.46) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL11529437 0.78 ALDH1A1 (0.70) ALDH1A1SLC10A6NPC1MAPTHPGD
SCHEMBL1847303 0.78 ESR2 (0.58) ALDH1A1NPC1MAPTRAB9AHPGD
SCHEMBL25983222 0.77 ESR2 (0.49) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL3070066 0.77 ESR2 (0.45) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL31549285 0.76 ALDH1A1 (0.44) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL13545969 0.75 ALDH1A1 (0.49) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL11529714 0.74 ALDH1A1 (0.58) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL11530053 0.74 ALDH1A1 (0.55) ALDH1A1SLC10A6NPC1MAPTRAB9A
SCHEMBL28290128 0.73 ALDH1A1 (0.48) ALDH1A1SLC10A6MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884066-B 2, 3, 5-substituted thiophene compounds as protein kinase inhibitors 韩国科学技术研究院 2021-08-24 CN disclosed
EP-3418275-B1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR KOREA INST SCI & TECH (KR) 2021-03-17 EP disclosed
US-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-15 US disclosed
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-02-14 US disclosed
EP-3418275-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR Korea Institute of Science and Technology (KR) 2018-12-26 EP disclosed
CN-108884066-A The thiophene compound that new 2,3,5- as kinases inhibitor replace 韩国科学技术研究院 2018-11-23 CN disclosed
EP-2935221-B1 QUINOLONE DERIVATIVES CADILA HEALTHCARE LTD (IN) 2018-02-07 EP disclosed
CN-104903295-B Carbostyril derivative 卡迪拉保健有限公司 2017-09-01 CN disclosed
WO-2017142325-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR 한국과학기술연구원 2017-08-24 WO disclosed
US-9394300-B2 Quinolone derivatives CADILA HEALTHCARE LIMITED (IN) 2016-07-19 US disclosed
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US disclosed
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 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 (3 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-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor CDK2, CDK2AP2, MAP3K5 ALDH1A1 4111/4885SLC10A6 4709/4885NPC1 3240/4885
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ALDH1A1 255/4885SLC10A6 3803/4885NPC1 1567/4885
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor MAP3K5, MAP3K6, MAP3K9 ALDH1A1 4145/4885SLC10A6 4725/4885NPC1 3153/4885

“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.