SCHEMBL20690303

SCHEMBL20690303

O=c1c(-c2cccc([N+](=O)[O-])c2)nc2c(n1Cc1ccccc1)=CCCC=2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 15/20 0.66
▸ PGR P06401 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL19032793 0.80 CFTR (1.00) CFTR
SCHEMBL19032867 0.77 CFTR (1.00) CFTRPGRGAAKDM4EALDH1A1
SCHEMBL19032873 0.77 CFTR (0.79) CFTRPGR
SCHEMBL19032882 0.77 CFTR (0.80) CFTRPGR
SCHEMBL27426923 0.77 CFTR (0.56) CFTRHPGD
SCHEMBL19032881 0.76 CFTR (1.00) CFTR
SCHEMBL19032884 0.76 CFTR (0.74) CFTRGAAKDM4EALDH1A1LMNA
SCHEMBL19032877 0.76 CFTR (1.00) CFTR
SCHEMBL19032762 0.76 CFTR (0.77) CFTRPGRGAAKDM4EALDH1A1
SCHEMBL19032732 0.76 CFTR (0.85) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084795-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-10 — — US disclosed
US-20190031622-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-31 — — 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 (2 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-20190031622-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 CFTR 1/4885PGR 3474/4885GAA 585/4885
US-11084795-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 CFTR 1/4885PGR 3474/4885GAA 585/4885

“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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