SCHEMBL1758331

SCHEMBL1758331

O=Cc1ccc(=O)n(Cc2cc(F)c(F)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPT P10636 7/20 0.41
HPGD P15428 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 4/20 0.37
LMNA P02545 1/20 0.34

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
SCHEMBL1757769 0.86 PTGDR2 (0.47) MEN1KMT2APTGDR2KDM4EALDH1A1
SCHEMBL1757628 0.72 ALDH1A1 (0.70) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1757523 0.70 KDM4E (0.49) PTGDR2KDM4EALDH1A1MAPTHPGD
SCHEMBL1757940 0.64 PTGDR2 (0.56) MEN1KMT2APTGDR2KDM4ESMN1; SMN2
SCHEMBL27268228 0.61 ALDH1A1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL19609936 0.61 HTR2A (0.32)
SCHEMBL22266117 0.61 ALDH1A1 (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30529271 0.61 GRIA1 (0.42) ALDH1A1HPGDSMN1; SMN2NPSR1TP53
SCHEMBL6969733 0.60 CACNA1G (0.46) ALDH1A1HTT
SCHEMBL2556351 0.57 DPP4 (0.38)

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
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

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 MEN1 3026/4885KMT2A 3787/4885PTGDR2 13/4885

“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.