SCHEMBL17815793

SCHEMBL17815793

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 6/20 0.71
▸ CARM1 Q86X55 1/20 0.54
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA7 P43166 3/20 0.52
▸ CA13 Q8N1Q1 3/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.46
▸ CDC7 O00311 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ HIPK2 Q9H2X6 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ F9 P00740 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ MAPT P10636 2/20 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
SCHEMBL17815582 0.81 PRMT1 (0.73) PRMT1CARM1CA1CA2CA7
SCHEMBL17815595 0.78 PRMT1 (0.69) PRMT1CARM1CA1CA2CA7
SCHEMBL17815591 0.77 PRMT1 (0.61) PRMT1CARM1CA1CA2CA7
SCHEMBL17815798 0.71 MAPT (0.62) PRMT1CARM1CA1CA2CA7
SCHEMBL8639589 0.70 L3MBTL1 (0.46) MAPTTDP1KMT2A
SCHEMBL17815792 0.68 MAPT (0.67) PRMT1GSK3BMAPTTDP1MEN1
SCHEMBL17802569 0.67 MKNK1 (0.57) PRMT1MKNK1CDC7ROCK2MAP4K4
SCHEMBL27226284 0.67 CA1 (0.61) PRMT1CARM1CA1CA2CA7
SCHEMBL30815002 0.67 CA1 (0.61) PRMT1CARM1CA1CA2CA7
SCHEMBL14027291 0.66 HTT (0.68) PRMT1CA1CA2CA7CA13

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 1940/4885CARM1 2862/4885CA1 3895/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 PRMT1 1940/4885CARM1 2862/4885CA1 3895/4885

“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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