SCHEMBL17815580

SCHEMBL17815580

CC(=O)Nc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA13 Q8N1Q1 1/20 0.64
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MCL1 Q07820 1/20 0.53
PTK2B Q14289 1/20 0.53
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
PRMT1 Q99873 5/20 0.51
BRAF P15056 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL17815798 0.91 MAPT (0.62) CA1CA2CA7CA13MAPT
SCHEMBL30815002 0.82 CA1 (0.61) CA1CA2CA7CA13MAPT
SCHEMBL27226284 0.82 CA1 (0.61) CA1CA2CA7CA13MAPT
SCHEMBL17815582 0.82 PRMT1 (0.73) CA1CA2CA7CA13MAPT
SCHEMBL27227469 0.81 CA1 (0.57) CA1CA2CA7CA13MAPT
SCHEMBL4927860 0.81 CA1 (0.69) CA1CA2CA7CA13MAPT
SCHEMBL1292932 0.81 CA1 (0.65) CA1CA2CA7CA13MAPT
SCHEMBL1244815 0.81 CA1 (0.65) CA1CA2CA7CA13MAPT
SCHEMBL27226032 0.81 CA1 (0.65) CA1CA2CA7CA13MAPT
SCHEMBL1254095 0.81 CA1 (0.77) CA1CA2CA7CA13PRMT1

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 CA1 3895/4885CA2 1549/4885CA7 782/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 CA1 3895/4885CA2 1549/4885CA7 782/4885

“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.