SCHEMBL7911822

SCHEMBL7911822

CC1COC(c2ccc(F)cc2)=N1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.37
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36

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
SCHEMBL7913803 1.00 ENPP2 (0.43) ENPP2MEN1KMT2AMAPTALOX15
SCHEMBL381475 0.90 MEN1 (0.46) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL12731994 0.83 MAPT (0.51) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL7386839 0.81 MAPT (0.47) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL9395662 0.77 MEN1 (0.68) MEN1KMT2AMAPTALOX15NPC1
SCHEMBL8791993 0.77 MEN1 (0.68) MEN1KMT2AMAPTALOX15NPC1
SCHEMBL12731996 0.77 MEN1 (0.38) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL6697450 0.77 KCNH2 (0.38) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL14351707 0.76 NPC1 (0.62) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL381302 0.76 NPC1 (0.62) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2

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-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-6214829-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2001-04-10 US disclosed
EP-0900792-A1 Piperazine and piperidine derivatives as 5-HT1 receptor agonists DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-03-10 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 (4 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ENPP2 558/4885MEN1 666/4885KMT2A 1768/4885
US-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ENPP2 849/4885MEN1 625/4885KMT2A 2487/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B ENPP2 620/4885MEN1 892/4885KMT2A 2762/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ENPP2 558/4885MEN1 666/4885KMT2A 1768/4885

“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.