SCHEMBL316839

SCHEMBL316839

CCOC(=O)Cn1c(C)c(-c2ccnc3cc(Cl)ccc23)c2cc(N)ccc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.65
PTGS1 P23219 2/20 0.65
IDE P14735 1/20 0.44
KRAS P01116 2/20 0.43
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNF P01375 1/20 0.39

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
SCHEMBL318694 0.89 PTGDR2 (0.81) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL316988 0.86 PTGDR2 (0.61) PTGDR2PTGS1IDEKRASMAPT
SCHEMBL318105 0.86 PTGDR2 (0.61) PTGDR2PTGS1IDEKRASMAPT
SCHEMBL318734 0.84 PTGDR2 (0.72) PTGDR2PTGS1KRASMAPTCYP2C9
SCHEMBL317806 0.84 PTGDR2 (0.59) PTGDR2PTGS1IDEKRASMAPT
SCHEMBL6247326 0.84 PTGDR2 (0.59) PTGDR2PTGS1IDEKRASMAPT
SCHEMBL318332 0.81 PTGDR2 (0.90) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318083 0.79 PTGDR2 (0.56) PTGDR2PTGS1IDEKRASMAPT
SCHEMBL318131 0.78 PTGDR2 (0.80) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318388 0.78 PTGDR2 (0.83) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19

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 PTGDR2 429/4885PTGS1 413/4885IDE 2804/4885
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 PTGDR2 54/4885PTGS1 191/4885IDE 4086/4885

“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.