SCHEMBL21988097

SCHEMBL21988097

CCCCc1ccc(C(=O)N=[N+]=[N-])nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 6/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ THPO P40225 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 8/20 0.41

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
SCHEMBL11874297 0.79 NFKB1 (0.78) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL22050227 0.77 RRM2 (0.43) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
Fusaric Acid SCHEMBL178006 0.77 ALDH1A1 (1.00) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL4821651 0.77 NFKB1 (0.76) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
Fusaric Acid SCHEMBL29406685 0.77 ALDH1A1 (1.00) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
Fusaric Acid SCHEMBL8606376 0.77 ALDH1A1 (1.00) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL16589220 0.76 HIF1A (0.53) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1756311 0.76 NFKB1 (0.73) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL10933024 0.76 NFKB1 (0.73) NFKB1ALDH1A1KDM4EL3MBTL1MAPT
Fusaric Acid SCHEMBL2270496 0.76 ALDH1A1 (0.97) NFKB1ALDH1A1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004785-A Compounds and compositions for the treatment of diseases associated with STING activity 诺华制药股份有限公司 2025-05-16 — — CN disclosed
CN-112823036-B Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-11-08 — — CN disclosed
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-03-14 — — US disclosed
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity IFM DUE, INC. (US) 2023-04-04 — — US disclosed
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 (3 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 NFKB1 240/4885ALDH1A1 4654/4885KDM4E 3761/4885
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity STING1, IRF3, CGAS NFKB1 172/4885ALDH1A1 4473/4885KDM4E 4043/4885
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NFKB1 240/4885ALDH1A1 4654/4885KDM4E 3761/4885

“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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