SCHEMBL72673

SCHEMBL72673

Nc1nc2ccc(F)cc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ACHE P22303 7/20 0.46
DHODH Q02127 2/20 0.46
APP P05067 1/20 0.46
DCPS Q96C86 1/20 0.46
BCHE P06276 5/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2A Q12879 5/20 0.44
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL9971755 0.89 ACHE (0.46) KDM4EMEN1KMT2AACHEDHODH
SCHEMBL840416 0.87 CLK1 (0.51) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL16905530 0.85 ACHE (0.49) KDM4EMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL72366 0.80 ADORA3 (0.45) ACHEDHODHBCHEGRIN1GRIN2A
SCHEMBL16767246 0.78 HTT (0.59) MEN1KMT2AACHEAPPDCPS
SCHEMBL861205 0.78 CYP1A1 (0.50) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL72801 0.78 DCPS (0.64) KDM4EKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL29583288 0.78 DCPS (0.64) KDM4EKMT2ASMN1; SMN2HSD17B10NPC1
SCHEMBL28041579 0.77 DHODH (0.49) KDM4EMEN1KMT2AACHEDHODH
SCHEMBL27223540 0.77 DCPS (0.53) KDM4EKMT2ADCPS

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 KDM4E 3738/4885MEN1 3396/4885KMT2A 4202/4885
US-20110092483-A1 SCREENING MOLECULES WITH ANTI-PRION ACTIVITY: KITS, METHODS AND SCREENED MOLECULES ATXN2L, ATXN10, CLN6 KDM4E 2700/4885MEN1 3486/4885KMT2A 3374/4885
US-20070031821-A1 Screening molecules with anti-prion activity: kits, methods and screened molecules ATXN2L, ATXN10, CLN6 KDM4E 2700/4885MEN1 3486/4885KMT2A 3374/4885

“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.