SCHEMBL661463

SCHEMBL661463

[c]1ncccc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2B6 P20813 1/20 0.46
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 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
SCHEMBL4909130 0.75
SCHEMBL3195052 0.74 CYP3A4 (0.40) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL1400381 0.73 DYRK1A (0.42) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL12487832 0.72 GRIN2D (0.42) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL2342778 0.71 PDPK1 (0.47) CYP2A6ALDH1A1HSD17B10RAB9ANPC1
SCHEMBL4740779 0.71 CYP3A4 (0.40) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL7832259 0.69
SCHEMBL11229774 0.68 MAPT (0.31) MAPT
SCHEMBL4462179 0.68 PDGFRB (0.43) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL5797199 0.68 MAPT (0.43) CYP3A4CYP2C9CYP2A6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US claimed
CN-116283478-A Organic compound and application thereof 阜阳欣奕华材料科技有限公司 2023-06-23 CN claimed
US-20230114875-A1 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE Oxford Drug Design Limited (GB) 2023-04-13 US claimed
EP-4146628-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2023-03-15 EP claimed
CN-111187220-B Trifluoromethyl pyrimidine derivative containing Schiff base structural unit and preparation method and application thereof 郑州大学 2022-08-02 CN claimed
WO-2021224220-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2021-11-11 WO claimed
WO-2021123237-A1 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE Oxford Drug Design Limited (GB) 2021-06-24 WO claimed
EP-3652157-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2020-05-20 EP claimed
CN-109651343-A A kind of Fipronil pyrazoles alcohol cyclic imides compound and its microwave-hydrothermal method method and application 中南民族大学 2019-04-19 CN claimed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO claimed
US-20030099861-A1 Efficient red organic electroluminescent devices CITYU RESEARCH LTD. (HK) 2003-05-29 US claimed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US claimed
EP-1265907-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS Metabasis Therapeutics, Inc. (US) 2002-12-18 EP claimed
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US claimed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO claimed
WO-2001066553-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS, INC. (US) 2001-09-13 WO claimed
EP-0475527-B1 Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents SANOFI SA (FR) 1998-02-25 EP claimed
EP-0809650-A1 SERINE PROTEASE INHIBITORS ELLERMAN PHARMACEUTICALS LIMITED (GB) 1997-12-03 EP claimed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US claimed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 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 (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-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes FBP1, ALDOA, G6PC1 CYP3A4 1936/4885CYP2C9 3786/4885CYP2E1 2895/4885
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 CYP3A4 982/4885CYP2C9 660/4885CYP2E1 273/4885
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TST, TPMT CYP3A4 56/4885CYP2C9 130/4885CYP2E1 98/4885
US-20230114875-A1 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE AARS1, ASNS, GARS1 CYP3A4 3657/4885CYP2C9 3012/4885CYP2E1 3498/4885

“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.