SCHEMBL317661

SCHEMBL317661

Cc1ccc2[nH]c(C)c(-c3ccnc4c(C(F)(F)F)cccc34)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.54
NR1H2 P55055 7/20 0.47
NR1H3 Q13133 7/20 0.47
RXRA P19793 1/20 0.43
NCF1 P14598 1/20 0.41
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
PARP1 P09874 1/20 0.39
BCHE P06276 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL2959234 0.89 NR1H2 (0.47) PTGDR2NR1H2NR1H3RXRANCF1
SCHEMBL2961945 0.89 NR1H2 (0.47) PTGDR2NR1H2NR1H3RXRANCF1
SCHEMBL2961361 0.85 NR1H2 (0.62) PTGDR2NR1H2NR1H3RXRA
SCHEMBL317746 0.85 PTGDR2 (0.53) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2952908 0.85 PTGDR2 (0.51) PTGDR2KDM4ECYP2C9PTGS1SLC6A4
SCHEMBL317189 0.83 PTGDR2 (0.53) PTGDR2NR1H2NR1H3KDM4ECYP2C9
SCHEMBL2953572 0.79 KIF11 (0.43) PTGDR2NR1H2NR1H3KIF11
SCHEMBL2959852 0.78 KIF11 (0.42) PTGDR2NR1H2NR1H3KIF11
SCHEMBL317801 0.78 PTGDR2 (0.53) PTGDR2NCF1KIF11KDM4EPTGS1
SCHEMBL317790 0.77 ACHE (0.40) PTGDR2KDM4ECYP2C9PTGS1SLC6A4

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 4 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

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 429/4885NR1H2 570/4885NR1H3 680/4885
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 54/4885NR1H2 96/4885NR1H3 143/4885

“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.