SCHEMBL10041247

SCHEMBL10041247

O=[N+]([O-])c1cccc(C#Cc2cccnc2CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
HSP90AA1 P07900 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
S1PR2 O95136 1/20 0.45
OPRK1 P41145 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
MITF O75030 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
PDE4D Q08499 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1541679 0.83 KMT2A (0.46) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL1541524 0.79 ALDH1A1 (0.52) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL4568619 0.76 KMT2A (0.37) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL28728423 0.76 TSHR (0.67) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL2082945 0.75 PDE4D (0.51) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL6692873 0.72 ALDH1A1 (0.56) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL9124019 0.71 ALDH1A1 (0.67) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL3874391 0.70 ALDH1A1 (0.60) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL6697515 0.70 ALDH1A1 (0.54) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL9092851 0.69 GRM5 (0.56) FFAR1ALDH1A1MAPTHTTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R FFAR1 138/4885ALDH1A1 2595/4885MAPT 3871/4885

“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.