SCHEMBL5859161

SCHEMBL5859161

Fc1ccccc1-n1cccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ G6PD P11413 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29946847 1.00 GAA (0.52) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL5716210 0.80 ALDH1A1 (0.45) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL12841362 0.75 RAB9A (0.44) KDM4ELMNAMEN1KMT2AMGLL
SCHEMBL300039 0.75 PTGS1 (0.40) GAAKDM4ELMNAMEN1KMT2A
SCHEMBL29793891 0.73 IDO1 (0.61) GAALMNAMEN1KMT2AMAPK1
SCHEMBL2587178 0.73 IDO1 (0.61) GAALMNAMEN1KMT2AMAPK1
SCHEMBL172523 0.73 ALDH1A1 (0.41) GAAKDM4ELMNAALDH1A1POLB
SCHEMBL5715769 0.73 CYP19A1 (0.40) GAAKDM4ELMNAALDH1A1MAPT
SCHEMBL10075587 0.72 ALDH1A1 (0.74) GAAKDM4ELMNAMGLLALDH1A1
SCHEMBL10074488 0.72 KDM4E (0.41) GAAKDM4ELMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187852-B A kind of preparation method of Vonoprazan fumarate intermediate 江西同和药业股份有限公司 2019-01-15 — — CN claimed
CN-104418786-A 1-(2-fluorophenyl)pyrrole and preparation method thereof TIANJIN HEOWNS BIOCHEMISTRY TECHNOLOGY CO LTD 2015-03-18 — — CN claimed
CN-108475731-B Organic semiconductor material and use thereof in organic components 赫里亚泰克有限责任公司 2022-07-26 — — CN disclosed
EP-3398214-B1 ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES HELIATEK GMBH (DE) 2022-03-16 — — EP disclosed
US-11063222-B2 Organic semiconducting material and use thereof in organic devices HELIATEK GMBH (DE) 2021-07-13 — — US disclosed
CN-105524046-B The method for preparing azole compounds 武田药品工业株式会社 2019-03-29 — — CN disclosed
CN-106187852-B A kind of preparation method of Vonoprazan fumarate intermediate 江西同和药业股份有限公司 2019-01-15 — — CN disclosed
US-20190006599-A1 ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES HELIATEK GMBH (DE) 2019-01-03 — — US disclosed
EP-3188270-B1 ORGANIC SEMI-CONDUCTING MATERIAL AND ITS USE IN ORGANIC COMPONENTS HELIATEK GMBH (DE) 2018-12-26 — — EP disclosed
EP-3398214-A1 ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES Heliatek GmbH (DE) 2018-11-07 — — EP disclosed
CN-108129374-A The method for preparing azole compounds 武田药品工业株式会社 2018-06-08 — — CN disclosed
CN-1889955-A Tricyclic imidazopyridines for use as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2007-01-03 — — CN disclosed
US-20060148796-A1 6-Substituted imidazopyrazines ALTANA PHARMA AG (DE) 2006-07-06 — — US disclosed
US-7034018-B2 Substituted pyrrole mannich bases to combat pain and allergic reactions GRUENENTHAL GMBH (DE) 2006-04-25 — — US disclosed
CN-1247542-C Substituted pyrrole Mannich bases to treating paint and allergic reactions GREENTHAL GMBH (DE) 2006-03-29 — — CN disclosed
EP-1246799-B1 SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS GRUENENTHAL GMBH (DE) 2003-10-15 — — EP disclosed
CN-1414950-A Substituted pyrrole mannich bases for the treatment of pain and hypersensitivity reactions GREENTHAL GMBH (DE) 2003-04-30 — — CN disclosed
US-20030023100-A1 Substituted pyrrole mannich bases to combat pain and allergic reactions GRUENENTHAL GMBH (DE) 2003-01-30 — — US disclosed
EP-1252166-A1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXON CHEMICAL PATENTS INC. (US) 2002-10-30 — — EP disclosed
WO-2001042249-A1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 COMPOUNDS AND PROCESSES USING THEM EXXON CHEMICAL PATENTS INC. (US) 2001-06-14 — — 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 (4 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-20190006599-A1 ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES CCNT1, CCNE2, EPCAM GAA 2765/4885KDM4E 3376/4885LMNA 2909/4885
US-20030023100-A1 Substituted pyrrole mannich bases to combat pain and allergic reactions CRHR1, CNR1, CRHR2 GAA 487/4885KDM4E 3166/4885LMNA 4289/4885
US-20060148796-A1 6-Substituted imidazopyrazines VIP, GIPR, SI GAA 1286/4885KDM4E 3312/4885LMNA 4442/4885
US-11063222-B2 Organic semiconducting material and use thereof in organic devices CCNT1, CCNE2, EPCAM GAA 2765/4885KDM4E 3376/4885LMNA 2909/4885

“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.

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