SCHEMBL40681

SCHEMBL40681

COc1ccc(N=C=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
P2RY6 Q15077 1/20 0.52
NOS3 P29474 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 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
SCHEMBL5120033 0.94 MIF (0.48) MIFCA1CA2CA7CA9
SCHEMBL91815 0.90 APP (0.55) MIFCA1CA2CA7CA9
SCHEMBL9380858 0.84 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1417852 0.83 CA1 (0.55) MIFCA1CA2CA7CA9
Bitoscanate SCHEMBL157128 0.82 MIF (0.72) MIFCA1CA2CA9P2RY6
SCHEMBL7620598 0.81 CA1 (0.52) MIFCA1CA2CA7CA9
SCHEMBL941550 0.80 MIF (0.56) MIFCA1CA2P2RY6TSHR
SCHEMBL161063 0.79 CYP3A4 (0.50) CA1CA2CA7CA9CA12
SCHEMBL12198411 0.79 CA1 (0.50) MIFCA1CA2CA7CA9
SCHEMBL1021008 0.79 ALDH1A1 (0.50) MIFCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12402638-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-09-02 US claimed
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US claimed
CN-116947780-B Preparation method of thiazolidine-4-thioketone derivative 华侨大学 2025-06-03 CN claimed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US claimed
US-20250084759-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2025-03-13 US claimed
US-12232516-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-02-25 US claimed
US-12193465-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-01-14 US claimed
CN-119080660-A Thiosemicarbazide menthyl formate compound, preparation method and application thereof 南京林业大学 2024-12-06 CN claimed
CN-117843276-B Multi-component composite steel slag grinding-aid excitant and preparation method thereof 华新水泥股份有限公司 2024-11-26 CN claimed
WO-2024177606-A1 QUINAZOLINONE DERIVATIVE COMPOUNDS SHOWING ANTI-CANCER ACTIVITY AND THE SYNTHESIS METHODS OF THESE COMPOUNDS BILECIK SEYH EDEBALI UNIVERSITESI (TR) 2024-08-29 WO claimed
CN-106188079-A 7 piperazine thioureas of camptothecine, preparation method and purposes 兰州大学 2016-12-07 CN claimed
CN-106045938-A Synthesis method of dehydroabietic-acid-based B ring-fused-thiazole-thiocarbamide compounds 广西大学 2016-10-26 CN claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP claimed
CN-103864655-B A kind of synthetic method of dehydrogenation abietyl thiourea derivative GUANGXI UNIVERSITY (CN) 2015-12-30 CN claimed
US-8940434-B2 Electrolyte additive and electrolyte and lithium rechargeable battery including same SAMSUNG SDI CO., LTD. (KR) 2015-01-27 US claimed
CN-102924383-B 2-sulfohydantoin as well as preparation method and application thereof UNIV SOUTHERN MEDICAL 2014-11-05 CN claimed
CN-104117064-A Combined application of isothiocyanate compound and hormone medicine WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2014-10-29 CN claimed
CN-103864655-A Synthetic method of dehydroabietic acid group thiourea derivative UNIV GUANGXI 2014-06-18 CN claimed
US-20140134480-A1 ELECTROLYTE ADDITIVE AND ELECTROLYTE AND LITHIUM RECHARGEABLE BATTERY INCLUDING SAME SAMSUNG SDI CO., LTD. (KR) 2014-05-15 US 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 (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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 MIF 986/4885CA1 1745/4885CA2 924/4885
US-20140134480-A1 ELECTROLYTE ADDITIVE AND ELECTROLYTE AND LITHIUM RECHARGEABLE BATTERY INCLUDING SAME TST, SLC26A3, CLCN2 MIF 3547/4885CA1 391/4885CA2 319/4885

“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.