SCHEMBL317217

SCHEMBL317217

CCOC(=O)Cn1c(C)c(-c2nsc3ccccc23)c2cc(C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
PTGDR2 Q9Y5Y4 8/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
CYP2C9 P11712 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
HK1 P19367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MEN1 O00255 2/20 0.41

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
SCHEMBL317140 0.88 PTGDR2 (0.60) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL318291 0.78 PTGDR2 (0.60) PTGDR2CYP2C9
SCHEMBL317750 0.78 PTGDR2 (0.61) PTGDR2PTGS1
SCHEMBL317784 0.75 PTGDR2 (0.54) PTGDR2
SCHEMBL317845 0.74 SMN1; SMN2 (0.41) TDP1PTGDR2KDM4ERAB9AALDH1A1
SCHEMBL318163 0.73 PTGDR2 (0.59) TDP1PTGDR2KDM4ERAB9AHTT
SCHEMBL318635 0.72 PTGDR2 (0.79) TDP1PTGDR2KDM4ERAB9AALDH1A1
SCHEMBL317665 0.71 PTGDR2 (0.79) TDP1PTGDR2KDM4ERAB9AALDH1A1
SCHEMBL317768 0.71 PTGDR2 (0.57) TDP1PTGDR2KDM4ERAB9AHTT
SCHEMBL317480 0.71 PTGDR2 (0.62) TDP1PTGDR2KDM4ERAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (2 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 TDP1 3717/4885PTGDR2 429/4885KDM4E 1758/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 TDP1 4232/4885PTGDR2 54/4885KDM4E 4780/4885

“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.