SCHEMBL456863

SCHEMBL456863

FC(F)(F)c1ccc(N=C=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.50
P2RY6 Q15077 1/20 0.50
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
PLAU P00749 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 6/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL10625623 0.89 HSD17B10 (0.42) MIFP2RY6HTR3EHTR3BPLAU
SCHEMBL28615685 0.83 MIF (0.37) MIFP2RY6HTR3EHTR3BPLAU
SCHEMBL19707397 0.81 HTR3E (0.50) MIFHTR3EHTR3BPLAUHTR3A
Bitoscanate SCHEMBL157128 0.80 MIF (0.72) MIFP2RY6CA1CA2ALDH1A1
SCHEMBL4596215 0.78 BRD4 (0.57) CA1CA2ALDH1A1KIF11CYP1A2
SCHEMBL9963471 0.77 MIF (0.39) MIFP2RY6HTR3EHTR3BHTR3A
SCHEMBL1019463 0.77 ITGB3 (0.41) MIFP2RY6HTR3EHTR3BHTR3A
SCHEMBL7625148 0.77 HTR3E (0.47) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL1548250 0.77 P2RY6 (0.50) MIFP2RY6CA1CA2ALDH1A1
SCHEMBL160983 0.77 CYP3A4 (0.50) HTR3EHTR3BPLAUHTR3AHTR3D

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 601 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
CN-115515998-B Synthesis of polyurethanes by chain growth copolymerization 伊夫·雅努 2025-06-24 CN claimed
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US 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-119080658-A Single-molecule difunctional organic catalyst and preparation method and application thereof 浙江大学 2024-12-06 CN claimed
CN-118738556-A Electrolyte and lithium metal battery 蜂巢能源科技股份有限公司 2024-10-01 CN claimed
WO-2021224866-A1 POLYCARBAMATE SYNTHESIS VIA CHAIN-GROWTH COPOLYMERIZATION KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-11-11 WO claimed
US-20210214701-A1 MODIFIED CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2021-07-15 US claimed
CN-112155016-A Isothiocyanate and fluopyram composition, preparation and application 西北农林科技大学 2021-01-01 CN claimed
WO-2020198264-A1 MODIFIED CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2020-10-01 WO 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-103444759-A Isorhodanate and matrine mixture and its application WUHAN LELIJI BIOLOG SCIENCE & TECHNOLOGY CO LTD 2013-12-18 CN claimed
CN-101731259-B Application of isothiocyanate in preparation of termite preventing and controlling agent WUHAN ROCK BIOTECH CO LTD 2013-06-12 CN claimed
CN-101731259-A Application of isothiocyanate in preparation of termite preventing and controlling agent WUHAN ROCK BIOTECH CO LTD 2010-06-16 CN claimed
CN-101731258-A Composition of aromatic isothiocyanate and allyl isothiocyanate and application thereof WUHAN ROCK BIOTECH CO LTD 2010-06-16 CN 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 (1 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 986/4885P2RY6 2087/4885HTR3E 2361/4885

“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.