SCHEMBL252197

SCHEMBL252197

CN=NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 3/20 0.44
CYP3A4 P08684 2/20 0.44
MIF P14174 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
CALM1 P0DP23 1/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
TSHR P16473 4/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2A13 Q16696 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
SCHEMBL23913867 1.00 NOS2 (0.45) NOS2ALDH1A1TRPA1CYP3A4MIF
SCHEMBL15506263 0.83 ALDH1A1 (0.52) NOS2ALDH1A1TRPA1CYP3A4MIF
SCHEMBL19611522 0.83 ALDH1A1 (0.52) NOS2ALDH1A1TRPA1CYP3A4MIF
SCHEMBL17178869 0.83 ALDH1A1 (0.52) NOS2ALDH1A1TRPA1CYP3A4MIF
SCHEMBL8837167 0.80 HIF1A (0.48) ALDH1A1TRPA1MIFHPGDTP53
SCHEMBL8837171 0.80 HIF1A (0.48) ALDH1A1TRPA1MIFHPGDTP53
SCHEMBL2270 0.78
SCHEMBL22272281 0.77 TP53 (0.48) NOS2ALDH1A1TRPA1CYP3A4MIF
SCHEMBL8837169 0.77 HTR3A (0.53) MIFSIGMAR1
SCHEMBL3338115 0.74 GRIN2B (0.45) NOS2ALDH1A1TRPA1CYP3A4MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444942-A Self-repairing epoxy plastic packaging material and preparation method and application thereof 深圳先进电子材料国际创新研究院 2023-07-18 CN claimed
EP-3597630-B1 DISSIMILAR-METAL SALT ASSEMBLY WHICH IS DENDRIMER HAVING FOUR OR MORE TYPES OF DISSIMILAR-METAL SALT COMPOUNDS PRECISELY INTEGRATED THEREIN, AND PRODUCTION METHOD FOR SUBNANO METAL PARTICLES TOKYO INST TECH (JP) 2021-09-15 EP claimed
US-10781290-B2 Multiple metal salt assembly of dendrimer having four or more types of multiple-metal salt compound precisely assembled, and method for producing subnano metal particles TOKYO INSTITUTE OF TECHNOLOGY (JP) 2020-09-22 US claimed
WO-2008045122-A2 HYBRID POLYMER LIGHT-EMITTING DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-17 WO claimed
US-20080084158-A1 Hybrid polymer light-emitting devices SHAO YAN 2008-04-10 US claimed
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP claimed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO claimed
US-4716424-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1987-12-29 US claimed
US-4089671-A HERBICIDES MONSANTO COMPANY (US) 1978-05-16 US claimed
CN-116970260-B Epoxy plastic package material and preparation method and application thereof 深圳先进电子材料国际创新研究院 2024-01-23 CN disclosed
CN-116970260-A Epoxy plastic package material and preparation method and application thereof 深圳先进电子材料国际创新研究院 2023-10-31 CN disclosed
CN-116970256-A High-flame-retardance epoxy plastic package material and preparation method and application thereof 深圳先进电子材料国际创新研究院 2023-10-31 CN disclosed
EP-3765898-B1 METAL-COMPLEX-BASED ELECTROCHROMIC DEVICE NAT INST MATERIALS SCIENCE (JP) 2023-10-25 EP disclosed
CN-116444942-A Self-repairing epoxy plastic packaging material and preparation method and application thereof 深圳先进电子材料国际创新研究院 2023-07-18 CN disclosed
EP-0006541-A2 Use of N,N-diallyl-dichloroacetamide for improving the protection of crop plants against herbicidally active acetanilides BAYER AG (DE) 1980-01-09 EP disclosed
EP-0006542-A2 The use of N-dichloroacetyl-1,2,3,4-tetrahydroisoquinolin as antidote for the protection of cultivated plants against damage caused by herbicidally active acetanilides; combinations thus obtained and process for their preparation BAYER AG (DE) 1980-01-09 EP disclosed
US-4089671-A HERBICIDES MONSANTO COMPANY (US) 1978-05-16 US disclosed
US-4086080-A WEED CONTROL FOR CULTIVATED PLANTS CIBA-GEIGY CORPORATION (US) 1978-04-25 US disclosed
US-4055414-A 2-HALO-N-(N'-HYDROCARBYLOXYOXALYL-N'-ACYLAMINOMETHYL)-2',6' -DIALKYLACETANILIDES MONSANTO COMPANY (US) 1977-10-25 US disclosed
US-4025554-A Halogeno-acetanilides as herbicides CIBA-GEIGY CORPORATION (US) 1977-05-24 US 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 (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-10781290-B2 Multiple metal salt assembly of dendrimer having four or more types of multiple-metal salt compound precisely assembled, and method for producing subnano metal particles PICALM, SIN3A, KCNN3 NOS2 2497/4885ALDH1A1 4376/4885TRPA1 3836/4885

“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.