SCHEMBL7521847

SCHEMBL7521847

CC(=O)Nc1cc2cccc[n+]2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.53
CSNK2B P67870 6/20 0.53
CSNK2A1 P68400 6/20 0.53
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 2/20 0.37
BRD4 O60885 1/20 0.37
APOBEC3A P31941 1/20 0.37

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
Hydrochloric Acid SCHEMBL7238572 0.99 CSNK2A2 (0.55) CSNK2A2CSNK2BCSNK2A1RXFP1PKM
SCHEMBL29154707 0.71 RXFP1 (0.49) RXFP1PKMALDH1A1HPGDMAPK1
SCHEMBL11921342 0.71 CSNK2A2 (0.96) CSNK2A2CSNK2BCSNK2A1RXFP1LMNA
SCHEMBL12775850 0.71 CSNK2A2 (0.61) CSNK2A2CSNK2BCSNK2A1RXFP1KDM4E
Hydrochloric Acid SCHEMBL7230124 0.66 CSNK2A2 (0.93) CSNK2A2CSNK2BCSNK2A1RXFP1ALDH1A1
SCHEMBL6746219 0.66 ALDH1A1 (0.59) RXFP1PKMALDH1A1HPGDMAPK1
SCHEMBL7733433 0.65 RXFP1 (0.53) RXFP1PKMALDH1A1HPGDMAPK1
SCHEMBL6689158 0.65 ALDH1A1 (0.74) RXFP1ALDH1A1HPGDMAPK1LMNA
SCHEMBL13483433 0.64 RXFP1 (0.66) RXFP1PKMALDH1A1HPGDMAPK1
SCHEMBL9464673 0.64 CDC25B (0.55) RXFP1PKMALDH1A1HPGDMAPK1

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-8242136-B2 Use of glucosidase inhibitors for therapy of mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-08-14 US disclosed
US-20110269795-A1 USE OF GLUCOSIDASE INHIBITORS FOR THERAPY OF MUCOVISIDOSIS UNIVERSITE DE POITIERS (FR) 2011-11-03 US disclosed
US-7973054-B2 Use of glucosidase inhibitors for therapy of mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-07-05 US disclosed
US-7897610-B2 hypertension and asthma; vasorelaxants CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-01 US disclosed
US-20070213357-A1 Use of Glucosidase Inhibitors for Therapy of Mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-13 US disclosed
EP-0937044-B1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NAT RECH SCIENT (FR) 2002-01-30 EP disclosed
EP-0937044-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-08-25 EP disclosed
WO-1998005642-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-02-12 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-20110269795-A1 USE OF GLUCOSIDASE INHIBITORS FOR THERAPY OF MUCOVISIDOSIS MAN2B1, GAA, MAN2A1 CSNK2A2 787/4885CSNK2B 947/4885CSNK2A1 769/4885
US-20070213357-A1 Use of Glucosidase Inhibitors for Therapy of Mucovisidosis MAN2B1, GAA, MAN2A1 CSNK2A2 677/4885CSNK2B 818/4885CSNK2A1 633/4885

“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.