SCHEMBL24208362

SCHEMBL24208362

[N-]=[N+]=Nc1ccnc(COCC(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ PTGS2 P35354 2/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL28097360 0.75 RAD51 (0.32) —
SCHEMBL24208475 0.74 ALDH1A1 (0.41) SLC6A4TACR1KCNH2ALDH1A1
SCHEMBL18986772 0.73 PDE4A (0.33) —
SCHEMBL18986863 0.73 CYP51A1 (0.36) —
SCHEMBL28267926 0.73 LOXL2 (0.43) PTGS2PTGS1HTR1A
SCHEMBL18986848 0.73 CYP51A1 (0.33) PTGS2
SCHEMBL5567317 0.70 ALDH1A1 (0.55) ALDH1A1
SCHEMBL27965915 0.69 GABRP (0.41) ALDH1A1
SCHEMBL24208481 0.69 CFTR (0.40) SLC6A4TACR1KCNH2ALDH1A1
SCHEMBL874832 0.68 SMN1; SMN2 (0.42) ALDH1A1HTR1A

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 6 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
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 — — US disclosed
EP-4182310-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022015975-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO disclosed
WO-2022015975-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — 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 SLC6A4 2410/4885TACR1 3718/4885KCNH2 2622/4885

“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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