SCHEMBL317795

SCHEMBL317795

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46
NPBWR1 P48145 3/20 0.44
MAP3K14 Q99558 1/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CDK2 P24941 2/20 0.44
CCNE1 P24864 1/20 0.44
EGFR P00533 1/20 0.43
IGF1R P08069 1/20 0.43
TLR8 Q9NR97 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 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
SCHEMBL317371 0.83 PTGDR2 (0.52) HTR2AHTR6MAP3K14TLR8MEN1
SCHEMBL2962412 0.83 PTGS2 (0.46) MAP3K14TLR8ALDH1A1PTGDR2PTGS1
SCHEMBL2961240 0.81 MAP3K14 (0.48) HTR2AHTR6MAP3K14CDK1CCNB1
SCHEMBL31105684 0.76 MAP3K14 (0.53) HTR2AHTR6MAP3K14CDK2EGFR
SCHEMBL2962434 0.75 TLR8 (0.44) MAP3K14TLR8ALDH1A1PTGDR2PTGS1
SCHEMBL3042442 0.74 HTR1A (0.42) MAP3K14MEN1ALDH1A1KMT2AMAPT
SCHEMBL317777 0.73 PTGDR2 (0.76) PTGDR2PTGS1
SCHEMBL2954873 0.73 TLR8 (0.44) MAP3K14TLR8PTGDR2PTGS1EIF2AK2
SCHEMBL4900473 0.71 TLR8 (0.46) TLR8MEN1KMT2AMAPTPTGDR2
SCHEMBL316988 0.71 PTGDR2 (0.61) ALDH1A1POLBLMNAMAPTPTGDR2

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 HTR2A 27/4885HTR6 14/4885NPBWR1 1440/4885
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 HTR2A 171/4885HTR6 189/4885NPBWR1 360/4885

“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.