SCHEMBL17815796

SCHEMBL17815796

NC(=O)c1ccc(Nc2ccnc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 4/20 0.53
LMNA P02545 4/20 0.46
ROCK1 Q13464 1/20 0.45
AURKA O14965 2/20 0.45
AURKB Q96GD4 1/20 0.45
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL29129582 0.81 MAPT (0.52) LMNAMAPTKMT2AMEN1HTT
SCHEMBL17815801 0.80 ROCK1 (0.54) ROCK1AURKAAURKBHTTTSHR
SCHEMBL17815582 0.80 PRMT1 (0.73) PRMT1LMNAMAPTKMT2AMEN1
SCHEMBL2708359 0.74 ALDH1A1 (0.38) LMNAMAPTKMT2AMEN1HTT
SCHEMBL28076893 0.74 MEN1 (0.35) LMNAMAPTKMT2AMEN1HTT
SCHEMBL17815608 0.74 ALDH1A1 (0.67) PRMT1LMNAMAPTKMT2AMEN1
SCHEMBL29822619 0.73 MAPT (0.59) PRMT1LMNAMAPTKMT2AMEN1
SCHEMBL801078 0.73 KMT2A (0.49) PRMT1LMNAMAPTKMT2AMEN1
SCHEMBL31092300 0.73 KMT2A (0.49) PRMT1LMNAMAPTKMT2AMEN1
SCHEMBL6214605 0.72 MEN1 (0.53) LMNAMAPTKMT2AMEN1HTT

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 1940/4885LMNA 2920/4885ROCK1 1827/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 PRMT1 1940/4885LMNA 2920/4885ROCK1 1827/4885

“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.