SCHEMBL179286

SCHEMBL179286

CC(C)(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.63
TSHR P16473 4/20 0.61
LMNA P02545 3/20 0.61
ACHE P22303 1/20 0.57
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.48

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
SCHEMBL31496742 1.00 PTPRC (0.63) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL8772960 0.93 ALDH1A1 (0.57) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL2608412 0.89 KEAP1 (0.59) PTPRCTSHRLMNAACHEALDH1A1
Propionaldehyde SCHEMBL28841522 0.88 PTPRC (0.52) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL9734076 0.88 PTPRC (0.63) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL28841521 0.87 PTPRC (0.55) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL14744311 0.86 PTPRC (0.61) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL28549165 0.86 PTPRC (0.61) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL11214966 0.85 PTPRC (0.59) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL14292542 0.85 PTPRC (0.59) PTPRCTSHRLMNAACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507252-B Novel method for synthesizing arylsilane compound 广西大学 2023-10-27 CN claimed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
CN-118146102-A Method for synthesizing diaryl amine or triarylamine by using nitroaromatic hydrocarbon as raw material 广西大学 2024-06-07 CN disclosed
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20070014833-A1 Treatment of eye disorders with sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-5466871-A Amination of a nitrobenzene with a hydroxylamine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 US disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 US disclosed
US-4171425-A ANIONIC CATALYST, 2-PYRROLIDONE OR E-CAPROLACTAM CHEVRON RESEARCH COMPANY (US) 1979-10-16 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 (10 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-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PTPRC 1071/4885TSHR 3550/4885LMNA 3425/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A PTPRC 779/4885TSHR 818/4885LMNA 2850/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 PTPRC 1546/4885TSHR 1299/4885LMNA 3321/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD PTPRC 345/4885TSHR 4595/4885LMNA 1377/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 PTPRC 849/4885TSHR 4253/4885LMNA 935/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 PTPRC 2282/4885TSHR 692/4885LMNA 4645/4885
US-20070014833-A1 Treatment of eye disorders with sirtuin modulators SIRT1, SIRT2, SIRT3 PTPRC 4537/4885TSHR 994/4885LMNA 3964/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PTPRC 231/4885TSHR 2387/4885LMNA 2749/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 PTPRC 1071/4885TSHR 3550/4885LMNA 3425/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN PTPRC 200/4885TSHR 2226/4885LMNA 3824/4885

“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.