SCHEMBL12355604

SCHEMBL12355604

COc1cc(F)ccc1N/N=C(\c1ccccc1)C1C=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 3/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL2245329 0.76 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KCNH2GAA
SCHEMBL24465859 0.69 GPR84 (0.38) RAB9AKMT2AMEN1
SCHEMBL11404084 0.64 CYP1A2 (0.45) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL18133119 0.62 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1GAARAB9A
SCHEMBL23048431 0.61 GAA (0.41) ALDH1A1MAPTGAAKMT2ANPC1
SCHEMBL23551418 0.60 TSHR (0.33) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL9232918 0.59 APP (0.51) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL21966922 0.59 MAPT (0.40) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL9999676 0.59 GPR84 (0.40) KMT2APKM
SCHEMBL10747417 0.59 MAPT (0.56) ALDH1A1MAPTGAARAB9AKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 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 (1 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB ALDH1A1 3966/4885MAPT 2312/4885MAPK1 4334/4885

“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.