SCHEMBL4376536

SCHEMBL4376536

N#COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAOB P27338 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
BRCA1 P38398 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 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
Hydrogen Sulfide SCHEMBL28175895 0.98 KIF11 (0.45) KIF11CA1CA2CA9MAOB
SCHEMBL10627367 0.86 KIF11 (0.33) KIF11CA1CA2CA9
SCHEMBL29116660 0.86 PDE2A (0.39) KIF11CA1CA2CA9ALDH1A1
SCHEMBL24990 0.83 ESR1 (0.45) KIF11
SCHEMBL17042662 0.81 NPC1 (0.31) KIF11ALDH1A1
SCHEMBL24787 0.80 CA1 (0.32) CA1CA2CA9MAOBALDH1A1
SCHEMBL28868994 0.79
SCHEMBL28868996 0.78 AR (0.31)
SCHEMBL1555244 0.77 HPGD (0.41) KIF11CA1CA2CA9ALDH1A1
SCHEMBL15879800 0.77

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117165078-A Cyanate resin with low dielectric loss suitable for winding forming process, preparation method and application 中国科学院宁波材料技术与工程研究所 2023-12-05 CN claimed
CN-117165078-A Cyanate resin with low dielectric loss suitable for winding forming process, preparation method and application 中国科学院宁波材料技术与工程研究所 2023-12-05 CN disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20220135517-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND FUJIFILM CORPORATION (JP) 2022-05-05 US disclosed
US-20180022714-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-01-25 US disclosed
CN-107303293-A Application of the isosulfocyanate compound in preventing and/or treating hyperbilirubinemia 无锡杰西医药股份有限公司 2017-10-31 CN disclosed
CN-107303292-A Application of the isosulfocyanate compound in preventing and/or treating hyperlipemia 无锡杰西医药股份有限公司 2017-10-31 CN disclosed
US-9725421-B2 Substituted quinoxalines as B-raf kinase inhibitors NEUPHARMA, INC. (US) 2017-08-08 US disclosed
US-20160009663-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2016-01-14 US disclosed
US-9233961-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-09-18 US disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20160009663-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 KIF11 1225/4885CA1 2493/4885CA2 948/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC KIF11 3328/4885CA1 4805/4885CA2 4828/4885
US-20180022714-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 KIF11 1225/4885CA1 2493/4885CA2 948/4885
US-20220135517-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND PARG, PTGIS, MT-ATP8 KIF11 1273/4885CA1 2542/4885CA2 1471/4885
US-20140275013-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT KIF11 2068/4885CA1 2043/4885CA2 362/4885

“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.