SCHEMBL180843

SCHEMBL180843

S=C=Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.54
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
PLAU P00749 1/20 0.48
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
CYP3A4 P08684 3/20 0.45
P2RY6 Q15077 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 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
SCHEMBL29609574 1.00 MIF (0.54) MIFHTR3EHTR3BHTR3AHTR3D
SCHEMBL8676885 0.89 MIF (0.44) MIFHTR3EHTR3BHTR3AHTR3D
SCHEMBL483888 0.84 MIF (0.67) MIFKMT2AMEN1MAPTCYP3A4
SCHEMBL11430455 0.82 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29116581 0.81 TRPV1 (0.43) MIFHTR3EHTR3BHTR3AHTR3D
Bitoscanate SCHEMBL11598436 0.79 MIF (0.68) MIFKMT2AMEN1MAPTCYP3A4
SCHEMBL30102029 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7870699 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7870702 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL58110 0.78 TDP1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-117843276-A Multi-component composite steel slag grinding-aid excitant and preparation method thereof 华新水泥股份有限公司 2024-04-09 CN claimed
CN-117247409-A 3-thio/seleno-phosphorylated imidazole derivative and synthetic method and application thereof 曲阜师范大学 2023-12-19 CN claimed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 CN 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
CN-109705146-B 2-aminobenzo [4, 5] thieno [3, 2-d ] thiazole, derivative and synthetic method thereof 湘潭大学 2021-05-04 CN claimed
CN-109705146-A 2- amino benzo [4,5] thieno [3,2-d] thiazole, derivative and its synthetic method 湘潭大学 2019-05-03 CN claimed
CN-103992265-A Double tribromo 1,3-bipyridine onium salt dimethylmethane, and preparation method, application method, recovery method and application thereof UNIV XI AN JIAOTONG 2014-08-20 CN 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-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
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
CN-101356165-A Process for preparing gemcitabine and related intermediates CHEMAGIS LTD (IL) 2009-01-28 CN claimed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO 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

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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 MIF 4268/4885HTR3E 2057/4885HTR3B 1778/4885

“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.