SCHEMBL71734

SCHEMBL71734

Nc1nc2ccccc2c2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.51
DPP4 P27487 1/20 0.50
ADORA3 P0DMS8 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
ACHE P22303 3/20 0.49
ADORA2A P29274 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
ALOX12 P18054 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
DCPS Q96C86 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
APP P05067 2/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL12733642 0.93 CLK1 (0.51) CLK1DPP4ADORA3KDM4EALDH1A1
SCHEMBL72801 0.80 DCPS (0.64) CLK1ADORA3KDM4EALDH1A1HPGD
SCHEMBL29583288 0.80 DCPS (0.64) CLK1ADORA3KDM4EALDH1A1HPGD
SCHEMBL5212065 0.79 GPR3 (0.66) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30659937 0.79 GPR3 (0.66) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL72366 0.78 ADORA3 (0.45) ADORA3ALDH1A1ACHEADORA2AHTR3A
SCHEMBL11057550 0.76 ACHE (0.67) ADORA3KDM4EALDH1A1HPGDACHE
SCHEMBL7795994 0.76 ACHE (0.67) ADORA3KDM4EALDH1A1HPGDACHE
SCHEMBL28091313 0.76 MAOA (0.46) KDM4EALDH1A1ACHEMEN1NPC1
SCHEMBL9709249 0.76 MAOA (0.72) ADORA3KDM4EALDH1A1HPGDACHE

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-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
EP-1551992-A2 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-07-13 EP disclosed
WO-2004035813-A2 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-04-29 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 (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 CLK1 2169/4885DPP4 2377/4885ADORA3 985/4885
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES ATXN2L, ATXN10, CLN6 CLK1 2185/4885DPP4 2897/4885ADORA3 1609/4885
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 CLK1 2185/4885DPP4 2897/4885ADORA3 1609/4885

“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.