SCHEMBL22050225

SCHEMBL22050225

CCCCNc1ccc(C(=O)O)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 13/20 0.58
▸ KDM4E B2RXH2 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HCAR3 P49019 2/20 0.52

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
SCHEMBL13954312 0.90 P4HTM (0.61) P4HTMKDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL30112058 0.83 P4HTM (0.60) P4HTMKDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL18405340 0.83 P4HTM (0.60) P4HTMKDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL11390531 0.81 ASPH (0.62) P4HTMKDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL22050227 0.79 RRM2 (0.43) P4HTMKDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL26049197 0.78 P4HTM (0.62) P4HTMKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL63831 0.76 P4HTM (0.56) P4HTMKDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL797424 0.76 P4HTM (0.60) P4HTMKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL14197601 0.75 RRM2 (0.48) KDM4EMEN1MAPTKMT2AHCAR3
SCHEMBL417750 0.75 HCAR3 (0.59) KDM4ELMNACYP1A2CYP3A4MAPT

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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 P4HTM 4572/4885KDM4E 3761/4885L3MBTL1 2331/4885

“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.

Send feedback