SCHEMBL317790

SCHEMBL317790

Cc1ccc2[nH]c(C)c(-c3ccnc4c(C)cc(C)cc34)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
CYP2C9 P11712 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAP3K14 Q99558 2/20 0.40
GAA P10253 2/20 0.40
BCHE P06276 1/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
CHEK1 O14757 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
Hydrochloric Acid SCHEMBL2952627 0.99 CYP2C9 (0.39) ACHECYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2952908 0.86 PTGDR2 (0.51) ACHECYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL3042442 0.82 HTR1A (0.42) ACHEPTGS1PTGDR2KDM4EALDH1A1
SCHEMBL317189 0.79 PTGDR2 (0.53) CYP2C9PTGS1SLC6A4CYP2C19PTGS2
SCHEMBL317746 0.79 PTGDR2 (0.53) ACHECYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL2958472 0.78 SMN1; SMN2 (0.42) ACHEKDM4EALDH1A1MAPTMEN1
SCHEMBL317661 0.77 PTGDR2 (0.54) CYP2C9PTGS1SLC6A4CYP2C19PTGS2
SCHEMBL317371 0.76 PTGDR2 (0.52) PTGS1PTGDR2KDM4EMAPTMEN1
SCHEMBL317503 0.76 KIF11 (0.46) ACHEPTGS1PTGS2PTGDR2ALDH1A1
SCHEMBL2955003 0.74 MAPK14 (0.47) ACHECYP2C9PTGS1SLC6A4CYP2C19

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
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 (1 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 ACHE 2906/4885CYP2C9 378/4885PTGS1 413/4885

“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.