Sugi Predict

Sugi Predict / Compounds / SCHEMBL317121

SCHEMBL317121

SCHEMBL317121

Cc1ccc2[nH]c(C)c(-c3ccc4cccc([N+](=O)[O-])c4n3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.42
▸ KMT2A Q03164 8/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ NFKBIA P25963 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MGAM O43451 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL317489 0.82 AR (0.45) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL2963134 0.80 PTGS2 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL317769 0.77 MAP3K14 (0.37) PDE10AKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL2952530 0.75 MEN1 (0.36) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL7836832 0.70 ALDH1A1 (0.61) KMT2AALDH1A1MEN1TDP1RELA
SCHEMBL230859 0.68 RELA (0.59) PDE10AKMT2AALDH1A1MEN1TDP1
SCHEMBL1031073 0.67 MEN1 (0.55) PDE10AKMT2AALDH1A1MEN1TDP1
SCHEMBL1645512 0.67 PDE10A (0.50) PDE10AKMT2AALDH1A1MEN1TDP1
SCHEMBL1645511 0.67 ALDH1A1 (0.56) PDE10AKMT2AALDH1A1MEN1TDP1
SCHEMBL1031979 0.65 PDE10A (0.55) PDE10AKMT2AALDH1A1MEN1TDP1

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 PDE10A 1686/4885KMT2A 2018/4885ALDH1A1 298/4885
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 PDE10A 1402/4885KMT2A 3666/4885ALDH1A1 533/4885

“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.