SCHEMBL13153263

SCHEMBL13153263

Nc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.58
DYRK1A Q13627 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GSK3B P49841 1/20 0.50
NR4A2 P43354 1/20 0.47
IDO1 P14902 2/20 0.46
SLC6A4 P31645 2/20 0.45
HTR2A P28223 2/20 0.44
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DAO P14920 1/20 0.42
F7 P08709 1/20 0.42

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
Hydrochloric Acid SCHEMBL29026405 0.98 GPR84 (0.56) GPR84DYRK1AALDH1A1GSK3BNR4A2
Hydrochloric Acid SCHEMBL30390664 0.98 GPR84 (0.56) GPR84DYRK1AALDH1A1GSK3BNR4A2
SCHEMBL1465983 0.83 GPR84 (0.58) GPR84NR4A2IDO1SLC6A4HTR2A
SCHEMBL30415771 0.83 GPR84 (0.58) GPR84NR4A2IDO1SLC6A4HTR2A
Hydrochloric Acid SCHEMBL30152406 0.82 GPR84 (0.56) GPR84NR4A2IDO1SLC6A4HTR2A
SCHEMBL18795164 0.75 GPR84 (0.58) GPR84DYRK1AALDH1A1GSK3BNR4A2
SCHEMBL2736533 0.75 GPR84 (0.58) GPR84IDO1HTR2ATDO2
SCHEMBL14454516 0.75 HTR2A (0.56) ALDH1A1NR4A2IDO1HTR2AALOX15
SCHEMBL1307146 0.75 GPR84 (0.58) GPR84DYRK1AALDH1A1GSK3BNR4A2
SCHEMBL21291525 0.75 GPR84 (0.58) GPR84DYRK1AALDH1A1GSK3BNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
WO-2022015975-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GPR84 634/4885DYRK1A 4056/4885ALDH1A1 4654/4885

“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.