SCHEMBL980672

SCHEMBL980672

O=C(c1ncccc1CC1CC1)N(c1ccccc1)c1nnc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.35
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
PTGDR Q13258 1/20 0.31
KCNA5 P22460 1/20 0.31
GLS O94925 1/20 0.30
TACR3 P29371 1/20 0.30
KCNH2 Q12809 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL978875 0.82 HCAR2 (0.35) PTGIRHTR1A
SCHEMBL986289 0.74 HDAC6 (0.43) KDM4EMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL15153028 0.69 HCAR2 (0.32)
SCHEMBL998164 0.68 ROCK1 (0.37) MAPTSMN1; SMN2
SCHEMBL1507145 0.67 KDM4E (0.42) HTR1AADRA2AADRA2BADRA2CKDM4E
Hydrochloric Acid SCHEMBL29898842 0.66 KDM4E (0.41) HTR1AADRA2AADRA2BADRA2CKDM4E
SCHEMBL15410114 0.66 OPRM1 (0.35) PTGIRMEN1KMT2A
SCHEMBL15153039 0.65 L3MBTL1 (0.30)
SCHEMBL985186 0.65 NPSR1 (0.38) PTGIRMAPTKCNH2SMN1; SMN2
SCHEMBL986589 0.64 TSHR (0.47) KDM4EMAPTMEN1NPC1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 PTGIR 1851/4885HTR1A 3475/4885ADRA2A 4413/4885

“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.