SCHEMBL1757793

SCHEMBL1757793

O=Cc1cn(Cc2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KMT2A Q03164 5/20 0.56
LMNA P02545 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 9/20 0.55
HTT P42858 6/20 0.55
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SIRT1 Q96EB6 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
PTGS2 P35354 1/20 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
SCHEMBL29377589 0.82 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL1418988 0.82 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL17829640 0.77 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL28803097 0.77 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL29809329 0.77 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL15815917 0.77 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL5616888 0.76 L3MBTL1 (0.50) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL12252047 0.76 APP (0.65) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL3721232 0.75 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTMEN1
Ethane SCHEMBL13370815 0.74 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 ALDH1A1 1069/4885KMT2A 3787/4885LMNA 4342/4885

“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.