SCHEMBL317371

SCHEMBL317371

Cc1ccc2[nH]c(C)c(-c3ccnc4cc(Cl)ccc34)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.52
PTGS1 P23219 1/20 0.52
MAP3K14 Q99558 2/20 0.50
TLR8 Q9NR97 1/20 0.46
EIF2AK2 P19525 5/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR4A2 P43354 2/20 0.41
SOS2 Q07890 1/20 0.41
HTR6 P50406 3/20 0.41
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL3042442 0.91 HTR1A (0.42) PTGDR2PTGS1MAP3K14MAPTKDM4E
SCHEMBL2961240 0.88 MAP3K14 (0.48) PTGDR2PTGS1MAP3K14TLR8EIF2AK2
SCHEMBL2962412 0.85 PTGS2 (0.46) PTGDR2PTGS1MAP3K14TLR8EIF2AK2
SCHEMBL317795 0.83 HTR2A (0.46) PTGDR2PTGS1MAP3K14TLR8EIF2AK2
SCHEMBL2951882 0.82 KIF11 (0.49) PTGDR2PTGS1MAP3K14EIF2AK2MEN1
SCHEMBL317801 0.82 PTGDR2 (0.53) PTGDR2PTGS1KDM4EMEN1KMT2A
SCHEMBL2954873 0.80 TLR8 (0.44) PTGDR2PTGS1MAP3K14TLR8EIF2AK2
SCHEMBL2962434 0.79 TLR8 (0.44) PTGDR2PTGS1MAP3K14TLR8KDM4E
SCHEMBL317503 0.78 KIF11 (0.46) PTGDR2PTGS1MAP3K14EIF2AK2MEN1
SCHEMBL317189 0.78 PTGDR2 (0.53) PTGDR2PTGS1MAP3K14EIF2AK2KDM4E

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 429/4885PTGS1 413/4885MAP3K14 3677/4885
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 191/4885MAP3K14 2656/4885

“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.