SCHEMBL17815792

SCHEMBL17815792

NC(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PRMT1 Q99873 2/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KCNH2 Q12809 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
AHR P35869 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AURKA O14965 1/20 0.47
GSK3A P49840 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
SCHEMBL6805283 0.86 MAPT (0.70) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6797863 0.84 MAPT (0.78) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL20603945 0.83 MAPT (0.62) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL22641111 0.83 MAPT (0.66) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL17077723 0.83 MAPT (0.66) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL5022935 0.83 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL20603943 0.82 MAPT (0.65) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL2177925 0.81 MAPT (0.69) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL527627 0.80 RAB9A (1.00) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL10812183 0.80 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1

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 MAPT 4816/4885NPC1 83/4885RAB9A 2141/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MAPT 4816/4885NPC1 83/4885RAB9A 2141/4885

“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.