SCHEMBL22050227

SCHEMBL22050227

CCCCNc1ccc(C(=O)N=[N+]=[N-])nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RRM2 P31350 2/20 0.43
▸ HCAR3 P49019 2/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TYRO3 Q06418 3/20 0.36
▸ MERTK Q12866 3/20 0.36
▸ AXL P30530 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ PMP22 Q01453 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36

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
SCHEMBL22050225 0.79 P4HTM (0.58) RRM2HCAR3P4HTMLMNAKDM4E
SCHEMBL21988097 0.77 NFKB1 (0.62) P4HTMSMN1; SMN2LMNAKDM4ECYP1A2
SCHEMBL13954312 0.70 P4HTM (0.61) RRM2HCAR3P4HTMLMNAKDM4E
SCHEMBL14197601 0.68 RRM2 (0.48) RRM2HCAR3KDM4EMAPTMEN1
SCHEMBL7664958 0.67 RRM2 (0.47) RRM2HCAR3SMN1; SMN2LMNAKDM4E
SCHEMBL2171131 0.67 RRM2 (0.47) RRM2HCAR3SMN1; SMN2TYRO3MERTK
SCHEMBL26559603 0.64 RRM2 (0.48) RRM2HCAR3SMN1; SMN2LMNAKDM4E
SCHEMBL181559 0.64 MAPT (0.52) LMNAKDM4ECYP1A2CYP3A4MAPT
SCHEMBL22854537 0.64 HTT (0.56) SMN1; SMN2LMNAKDM4EMEN1TSHR
SCHEMBL18405340 0.64 P4HTM (0.60) HCAR3P4HTMLMNAKDM4ECYP1A2

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 RRM2 2459/4885HCAR3 2347/4885P4HTM 4572/4885

“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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