SCHEMBL23719136

SCHEMBL23719136

O=C(Nc1ccccc1)Nc1c[nH]nc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.49
▸ EPHX2 P34913 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CCNE1 P24864 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ROCK2 O75116 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
SCHEMBL22828377 0.82 EPHX1 (0.54) EPHX1EPHX2SMN1; SMN2RAB9AHPGD
SCHEMBL23719135 0.81 EPHX1 (0.43) EPHX1EPHX2RAB9ATP53ALDH1A1
SCHEMBL21543460 0.74 HCAR2 (0.34) EPHX2CDK2JAK3
SCHEMBL23719200 0.74 SMN1; SMN2 (0.53) EPHX1EPHX2SMN1; SMN2RAB9AHPGD
SCHEMBL23719139 0.73 ROCK2 (0.40) SMN1; SMN2RAB9ACCNE1CDK2CDK5
SCHEMBL23719252 0.72 TP53 (0.52) EPHX1EPHX2SMN1; SMN2RAB9ACCNE1
SCHEMBL5266880 0.70 HPGD (0.59) SMN1; SMN2CDK2HPGD
SCHEMBL8212906 0.70 EPHX2 (0.44) EPHX1EPHX2SMN1; SMN2RAB9ACDK2
SCHEMBL8216567 0.70 EPHX2 (0.44) EPHX1EPHX2SMN1; SMN2RAB9ACDK2
SCHEMBL19501808 0.70 HPGD (0.73) EPHX1EPHX2SMN1; SMN2RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 EPHX1 941/4885EPHX2 1579/4885SMN1; SMN2 2298/4885

“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.

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