SCHEMBL8057951

SCHEMBL8057951

O=[N+]([O-])c1c(O)nc(O)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
GFER P55789 3/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
POLB P06746 3/20 0.33
GPR35 Q9HC97 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
S100A4 P26447 1/20 0.31

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
SCHEMBL3633581 0.84 MEN1 (0.37) MEN1KMT2AGFERTSHRALDH1A1
SCHEMBL16297625 0.83 KMT2A (0.35) MEN1KMT2AGFERTSHRALDH1A1
SCHEMBL536689 0.82 HSP90AA1 (0.36) MEN1KMT2AGFERTSHRALDH1A1
SCHEMBL9125919 0.80 MEN1 (0.37) MEN1KMT2AGFERTSHRALDH1A1
SCHEMBL3121870 0.76 MEN1 (0.34) MEN1KMT2AGFERTSHRALDH1A1
SCHEMBL16182530 0.76 KMT2A (0.41) MEN1KMT2AGFERGRIN2DGRIN3B
SCHEMBL4839201 0.75 MAPT (0.39) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL3444768 0.75 ALDH1A1 (0.36) MEN1KMT2AGFERALDH1A1POLB
SCHEMBL9466058 0.72 TDP1 (0.34) MEN1KMT2AGFERGPR35TDP1
SCHEMBL2581347 0.71 POLB (0.39) MEN1KMT2AGFERTSHRALDH1A1

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 8 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
EP-0548640-B1 Process for the preparation of 2,4,5-triamino-6-halopyrimidines and 2-amino-6-halopurines BASF AG (DE) 2000-07-12 EP disclosed
EP-0548640-A2 Process for the preparation of 2,4,5-triamino-6-halopyrimidines and 2-amino-6-halopurines BASF Aktiengesellschaft (DE) 1993-06-30 EP 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 MEN1 2444/4885KMT2A 3595/4885GFER 658/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MEN1 2444/4885KMT2A 3595/4885GFER 658/4885

“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.