SCHEMBL17815591

SCHEMBL17815591

NC(=O)c1ccc(Nc2ncnc(OCc3ccccc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 6/20 0.61
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA13 Q8N1Q1 1/20 0.50
▸ CARM1 Q86X55 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.46
▸ PPIA P62937 1/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ HIPK2 Q9H2X6 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MGMT P16455 2/20 0.45
▸ FLT1 P17948 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
SCHEMBL17815595 0.82 PRMT1 (0.69) PRMT1CA1CA2CA7CA13
SCHEMBL17815793 0.77 PRMT1 (0.71) PRMT1CA1CA2CA7CA13
SCHEMBL17815582 0.76 PRMT1 (0.73) PRMT1CA1CA2CA7CA13
SCHEMBL6356857 0.73 MGMT (0.69) MGMTHTTMAPT
SCHEMBL13401682 0.72 CA1 (0.51) PRMT1CA1CA2CA7CA13
SCHEMBL27661754 0.70 MGMT (0.46) CA1CA2CA7CA13MGMT
Pyrimidine SCHEMBL6431067 0.69 MGMT (0.63) MGMTHTTMAPT
SCHEMBL27554214 0.69 MGMT (0.50) MGMTHTTMAPT
SCHEMBL5039414 0.69 AURKA (0.53) PARP10PPIACDK2GSK3BIRAK4
SCHEMBL15584703 0.69 AURKA (0.53) PARP10PPIACDK2IRAK4AURKB

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-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 PRMT1 1940/4885CA1 3895/4885CA2 1549/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 PRMT1 1940/4885CA1 3895/4885CA2 1549/4885

“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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