SCHEMBL5776359

SCHEMBL5776359

O=C=C1C=Nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
EIF2AK2 P19525 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLRA3 O75311 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GSK3B P49841 1/20 0.33
GLRA1 P23415 1/20 0.33
TRPA1 O75762 3/20 0.32
SIRT1 Q96EB6 2/20 0.32
SIRT5 Q9NXA8 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
HPGD P15428 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1497963 0.70 CDC25B (0.42) MAPTKMT2AMEN1GAAEIF2AK2
SCHEMBL29409962 0.70 CDC25B (0.42) MAPTKMT2AMEN1GAAEIF2AK2
SCHEMBL1202545 0.69 TRPA1 (0.38) MAPTKMT2AMEN1GAAEIF2AK2
Hydrochloric Acid SCHEMBL10860848 0.68 KMT2A (0.40) MAPTKMT2AMEN1GAAEIF2AK2
Hydrochloric Acid SCHEMBL10863150 0.68 KMT2A (0.40) MAPTKMT2AMEN1GAAEIF2AK2
Methane SCHEMBL28363844 0.68 KMT2A (0.40) MAPTKMT2AMEN1GAAEIF2AK2
Potassium SCHEMBL31207020 0.68 KMT2A (0.40) MAPTKMT2AMEN1GAAEIF2AK2
SCHEMBL3839654 0.67 MEN1 (0.42) MAPTKMT2AMEN1GAAEIF2AK2
SCHEMBL14362040 0.65 PLAU (0.37) KMT2AMAOAMAOB
SCHEMBL5488008 0.65 TRPA1 (0.35) MAPTKMT2AMEN1GAAEIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985347-B A kind of benzo Macrocyclic lactams indole alkaloid and its purposes in anticomplement medicament is prepared 复旦大学 2017-12-01 CN claimed
CN-105985347-A Benzo-macrolactam indole alkaloid and application thereof in preparation of anti-complement medicines 复旦大学 2016-10-05 CN claimed
CN-110256443-B Indole derivative and preparation method thereof 广州中医药大学(广州中医药研究院) 2021-05-14 CN disclosed
CN-105985347-B A kind of benzo Macrocyclic lactams indole alkaloid and its purposes in anticomplement medicament is prepared 复旦大学 2017-12-01 CN disclosed
CN-105985347-A Benzo-macrolactam indole alkaloid and application thereof in preparation of anti-complement medicines 复旦大学 2016-10-05 CN disclosed
CN-105985347-A Benzo-macrolactam indole alkaloid and application thereof in preparation of anti-complement medicines 复旦大学 2016-10-05 CN disclosed
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO disclosed
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR MAPT 4139/4885KMT2A 3511/4885MEN1 3859/4885

“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.