SCHEMBL129231

SCHEMBL129231

O=C=NC(N=C=O)(N=C=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.34
PTPN1 P18031 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL28949318 0.93 TSHR (0.32) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL27753941 0.83 PGK1 (0.34)
SCHEMBL15413 0.80 KCNN4 (0.36) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL1149592 0.80 KCNN4 (0.36) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL3517726 0.80 KCNN4 (0.36) KCNN4TSHRALDH1A1CYP1A2PTPN1
Water SCHEMBL2069627 0.78 KCNN4 (0.35) KCNN4TSHRALDH1A1CYP1A2PTPN1
Water SCHEMBL10334361 0.78 KCNN4 (0.35) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL8578358 0.78 KCNN4 (0.35) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL28448472 0.78 KCNN4 (0.35) KCNN4TSHRALDH1A1CYP1A2PTPN1
SCHEMBL19128956 0.78 KCNN4 (0.35) KCNN4TSHRALDH1A1CYP1A2PTPN1

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 1592 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998349-A Two-component polyurethane for polycarbonate bonding 阿科玛法国 2025-05-13 CN claimed
CN-118204067-A Lithium adsorbent, preparation method and application 广东邦普循环科技有限公司 2024-06-18 CN claimed
WO-2023104073-A1 DEGRADABLE COMPOSITE POLYMER HAVING HIGH DUCTILITY, AND PREPARATION METHOD THEREFOR 山东联欣环保科技有限公司 2023-06-15 WO claimed
EP-3673984-B1 PERFUME MICROENCAPSULATION CLARIANT INT LTD (CH) 2021-07-21 EP claimed
CN-107200996-B A kind of modified epoxy material and preparation method thereof 湖南金戈新材料有限责任公司 2019-10-22 CN claimed
CN-110003638-A A kind of calcium carbonate height filling Biodegradable film and preparation method thereof 福建师范大学泉港石化研究院 2019-07-12 CN claimed
CN-106449994-B A kind of large area perovskite solar cell light absorption multilayer film and preparation method thereof 天津市职业大学 2018-11-27 CN claimed
CN-105646884-B A kind of polyhydroxy polycarboxylic siloxanes and wear-resisting super-hydrophobic coat and preparation method 中科院广州化学有限公司南雄材料生产基地 2018-07-06 CN claimed
CN-105801840-B A kind of nano-particle reinforcement moulded nylon with self-tubricating composite shaft sleeve and its manufacture method 河南科技大学 2018-03-27 CN claimed
CN-107834006-A A kind of PI/PVDF HFP/PI nanofibers composite lithium ion cell barrier film and preparation method thereof 重庆中纳科技有限公司 2018-03-23 CN claimed
US-6376637-B1 USING BRANCHED POLYISOCYANATES BASF CORPORATION 2002-04-23 US claimed
US-20020007036-A1 High-functionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-01-17 US claimed
US-20010025096-A1 Polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-27 US claimed
EP-1134247-A2 Highfunctionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
EP-1134246-A2 Polyisocyanate BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
EP-1026185-A1 Dendrimers and highly branched polyurethanes BASF AKTIENGESELLSCHAFT (DE) 2000-08-09 EP claimed
EP-0613913-A1 Crosslinking agent for polymer adhesives on the basis of reaction products of 2,4,6-triisocyanato-toluene and polyols BAYER AG (DE) 1994-09-07 EP claimed
EP-0380108-A2 Polyarylene sulfide resin composition MITSUBISHI RAYON CO., LTD. (JP) 1990-08-01 EP claimed
EP-0094196-B1 TWO-COMPONENT URETHANE COATING SYSTEM The Lubrizol Corporation (US) 1986-08-27 EP claimed
EP-0072915-B1 PROCESS FOR PREPARING 2,4,6-TRIISOCYANATOTOLUENE BASF Aktiengesellschaft (DE) 1986-05-21 EP 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-20020007036-A1 High-functionality polyisocyanates PCBP1, C9, CYP1B1 KCNN4 347/4885TSHR 4803/4885ALDH1A1 256/4885

“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.