SCHEMBL22777929

SCHEMBL22777929

CN(C)/C=C/c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.49
ALDH1A1 P00352 9/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
VCAM1 P19320 4/20 0.40
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 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
SCHEMBL29653719 1.00 GPR35 (0.49) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL8484548 1.00 GPR35 (0.49) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL8487352 0.89 KMT2A (0.49) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL29331187 0.86 GPR35 (0.44) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL8487907 0.82 GPR35 (0.49) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL19100782 0.82 ALDH1A1 (0.50) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL19100781 0.82 ALDH1A1 (0.50) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL8488539 0.81 MAPT (0.46) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL22778076 0.80 ALDH1A1 (0.34) GPR35ALDH1A1MAPTKMT2AHTT
SCHEMBL1466073 0.78 KMT2A (0.48) GPR35ALDH1A1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024263860-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-12-26 WO disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GPR35 592/4885ALDH1A1 4633/4885MAPT 3076/4885

“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.