SCHEMBL72815

SCHEMBL72815

Nc1nc2ccccc2c2cccc(Cl)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
DCPS Q96C86 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ADORA3 P0DMS8 3/20 0.45
MAOA P21397 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BCHE P06276 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
NQO2 P16083 1/20 0.45
DRD1 P21728 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL17158157 0.85 DHFR (0.46) DHFRDCPSKDM4EALDH1A1HPGD
SCHEMBL7558381 0.78 MAOA (0.45) KDM4EALDH1A1MAOAGLABCHE
SCHEMBL11054708 0.78 ACHE (0.61) KDM4EALDH1A1HPGDHSD17B10ADORA3
SCHEMBL12733658 0.78 CYP1A2 (0.50) DHFRDCPSKDM4EALDH1A1HPGD
SCHEMBL72801 0.73 DCPS (0.64) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29583288 0.73 DCPS (0.64) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8390061 0.73 DHFR (0.66) DHFRDCPSKCNH2
SCHEMBL21497073 0.73 DHFR (0.49) DHFRDCPSBCHEACHEKCNH2
SCHEMBL30912751 0.73 DHFR (0.66) DHFRDCPSKCNH2
SCHEMBL10654059 0.73 MAOA (0.65) KDM4EALDH1A1HPGDHSD17B10ADORA3

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-20120122916-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-17 US disclosed
US-8129402-B2 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-06 US disclosed
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-04-21 US disclosed
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS ) (FR) 2007-02-08 US disclosed
EP-1551992-B1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NAT RECH SCIENT (FR) 2006-12-27 EP disclosed
US-20060172337-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-08-03 US 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 (3 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-20120122916-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES PRPF6, PRNP, TDP1 DHFR 4174/4885DCPS 2001/4885KDM4E 3738/4885
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES ATXN2L, ATXN10, CLN6 DHFR 4165/4885DCPS 2702/4885KDM4E 2700/4885
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 DHFR 4165/4885DCPS 2702/4885KDM4E 2700/4885

“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.