SCHEMBL19046533

SCHEMBL19046533

Cc1ccc(N)c(-c2nc3ccccc3n(Cc3ccccc3[N+](=O)O)c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 7/20 0.55
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TP53 P04637 4/20 0.45
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ TNF P01375 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL19046529 0.89 CFTR (0.55) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046558 0.82 CFTR (0.51) CFTRMEN1KMT2AMAPK1TP53
SCHEMBL24363056 0.81 CFTR (0.72) CFTRMEN1KMT2AMAPK1TP53
SCHEMBL19046446 0.80 CFTR (0.62) CFTRMEN1KMT2AMAPK1TP53
SCHEMBL19032856 0.79 CFTR (0.62) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19032808 0.76 CFTR (0.75) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046531 0.75 CFTR (0.62) CFTRMEN1KMT2AMAPK1HTT
SCHEMBL19046547 0.74 CFTR (0.69) CFTRMEN1KMT2AMAPK1MAPT
SCHEMBL19046530 0.72 CFTR (0.67) CFTRMEN1KMT2AMAPK1TP53
SCHEMBL19032095 0.71 CFTR (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 — — EP disclosed
EP-4071140-A1 CFTR REGULATORS AND METHODS OF USE THEREOF The Regents of The University of California (US) 2022-10-12 — — EP disclosed
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
WO-2017112950-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-29 — — 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 (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 1/4885MEN1 4526/4885KMT2A 4498/4885
US-11084795-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 CFTR 1/4885MEN1 4526/4885KMT2A 4498/4885

“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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