SCHEMBL2961945

SCHEMBL2961945

Cc1[nH]c2ccc(F)cc2c1-c1ccnc2c(C(F)(F)F)cccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.47
NR1H3 Q13133 10/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
RXRA P19793 1/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
NCF1 P14598 1/20 0.40
MAPK14 Q16539 2/20 0.40
EIF2AK2 P19525 1/20 0.39
PARP1 P09874 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL317661 0.89 PTGDR2 (0.54) NR1H2NR1H3PTGDR2RXRANCF1
SCHEMBL2959234 0.88 NR1H2 (0.47) NR1H2NR1H3PTGDR2RXRANCF1
SCHEMBL2955003 0.87 MAPK14 (0.47) PTGDR2HTR2AHTR2CHTR7HTR6
SCHEMBL2961347 0.85 PTGDR2 (0.44) NR1H2NR1H3PTGDR2HTR2AHTR2C
SCHEMBL2961361 0.84 NR1H2 (0.62) NR1H2NR1H3PTGDR2RXRA
SCHEMBL2958727 0.82 PTGDR2 (0.48) NR1H2NR1H3PTGDR2RXRAHTR2A
SCHEMBL2953572 0.81 KIF11 (0.43) NR1H2NR1H3PTGDR2EIF2AK2
SCHEMBL2959852 0.77 KIF11 (0.42) NR1H2NR1H3PTGDR2EIF2AK2LMNA
SCHEMBL317746 0.77 PTGDR2 (0.53) PTGDR2MAPK14EIF2AK2PTGS2
SCHEMBL2951882 0.75 KIF11 (0.49) PTGDR2HTR2AHTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H2 570/4885NR1H3 680/4885PTGDR2 429/4885
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 NR1H2 96/4885NR1H3 143/4885PTGDR2 54/4885

“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.