SCHEMBL318465

SCHEMBL318465

COC(=O)Cn1c(C)c(-c2cc(C)nc3ccccc23)c2cc(C#N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.62
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
STAT3 P40763 1/20 0.40
KRAS P01116 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL316993 0.91 PTGDR2 (0.76) PTGDR2MAPK1PKMSMN1; SMN2RXFP1
SCHEMBL317856 0.78 PTGDR2 (0.62) PTGDR2KMT2AMAPTTDP1ALDH1A1
SCHEMBL317689 0.77 PTGDR2 (0.64) PTGDR2KMT2AMAPTTDP1ALDH1A1
SCHEMBL317427 0.76 PTGDR2 (0.65) PTGDR2MAPTTDP1ALDH1A1CYP2C9
SCHEMBL16211102 0.73 PTGDR2 (0.76) PTGDR2MAPK1ALDH1A1STAT3CYP2C9
SCHEMBL317511 0.69 PTGDR2 (0.77) PTGDR2MAPK1ALDH1A1STAT3CYP2C9
SCHEMBL317636 0.69 PTGDR2 (0.77) PTGDR2CYP2C9CYP2C19
SCHEMBL318378 0.69 PTGDR2 (0.66) PTGDR2KMT2AMAPTALDH1A1CYP2C9
SCHEMBL18968586 0.68 KDM4E (0.55) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL317269 0.68 PTGDR2 (0.78) PTGDR2MAPK1ALDH1A1STAT3CYP2C9

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 429/4885KMT2A 2018/4885MAPK1 3873/4885
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 54/4885KMT2A 3666/4885MAPK1 1748/4885

“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.