SCHEMBL61329

SCHEMBL61329

O=[N+]([O-])c1ccccc1N=C=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.58
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 5/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
CCR2 P41597 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL441987 0.84 PLAU (0.61) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL7609777 0.84 TSHR (0.49) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL30135431 0.82 PLAU (0.59) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL187375 0.82 PLAU (0.59) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL11065566 0.82 PLAU (0.44) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL7119559 0.82 TDP1 (0.58) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL27753430 0.81 PLAU (0.58) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL7117378 0.79 CTSB (0.50) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL18244845 0.78 TDP1 (0.48) PLAUALDH1A1TDP1HSD17B10HPGD
SCHEMBL9743432 0.78 PLAU (0.54) PLAUALDH1A1TDP1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100980-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2025-03-27 US claimed
CN-114751868-B Diaryl substituted triazole acetic acid compound, and preparation method and application thereof 山东理工大学 2024-04-12 CN claimed
WO-2023121022-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF 이화여자대학교 산학협력단 2023-06-29 WO claimed
CN-114751868-A Diaryl-substituted triazole acetic acid compound and preparation method and application thereof 山东理工大学 2022-07-15 CN claimed
EP-3221309-B1 NOVEL BENZIMIDAZOLE BASED EGFR INHIBITORS COUNCIL SCIENT IND RES (IN) 2019-11-13 EP claimed
CN-106855519-B A kind of underground hydrological mercury ion detecting safe tracer agent and preparation method thereof 詹继峰 2019-07-02 CN claimed
EP-3253750-B1 NOVEL FLAVONE BASED EGFR INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2019-04-10 EP claimed
CN-106855519-A A kind of underground hydrological mercury ion detecting safe tracer agent and preparation method thereof 詹继峰 2017-06-16 CN claimed
US-9487540-B2 Compound for inhibiting the growth and proliferation of human liver cancer cells and method for synthesizing it ALGHAMDI ZAINAB SAEED (SA) 2016-11-08 US claimed
EP-2385831-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT The UAB Research Foundation (US) 2011-11-16 EP claimed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US claimed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO claimed
US-5684156-A Process for preparation of clonidine derivatives ALCON RESEARCH, LTD. 1997-11-04 US claimed
EP-0693055-B1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LAB INC (US) 1997-05-21 EP claimed
EP-0693055-A1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LAB INC (US) 1996-01-24 EP claimed
WO-1995021818-A1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LABORATORIES, INC. (US) 1995-08-17 WO 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-20250100980-A1 NOVEL LEUKOTRIENE B4 RECEPTOR INHIBITORS AND USE THEREOF LTB4R2, LTB4R, CYSLTR2 PLAU 473/4885ALDH1A1 2694/4885TDP1 4392/4885

“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.