SCHEMBL3369796

SCHEMBL3369796

COC(=O)c1ccc(Oc2c(C)[nH]c3ccc(F)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
MAP2K4 P45985 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 3/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KIF11 P52732 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL3368915 0.86 PTGS1 (0.49) PTGS1PTGS2MAP2K4MEN1KMT2A
SCHEMBL3371953 0.79 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL16880021 0.78 PTPN5 (0.60) PARP1PTGS1PTGS2MAP2K4MEN1
SCHEMBL18263044 0.78 RAB9A (0.57) MEN1KMT2AKDM4ELMNAHPGD
SCHEMBL5236009 0.77 NR4A2 (0.63) PARP1MEN1KMT2AKDM4ELMNA
SCHEMBL3370977 0.76 PTGS1 (0.51) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL3915711 0.75 TUBB1 (0.48) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL3371013 0.75 PTGS1 (0.50) PARP1PTGS1PTGS2MEN1KMT2A
SCHEMBL3373499 0.75 PTGS2 (0.62) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL21288599 0.74 KMT2A (0.64) PTGS1MEN1KMT2AKDM4ELMNA

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
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 WO 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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 PARP1 2836/4885PTGS1 179/4885PTGS2 338/4885

“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.