SCHEMBL5863798

SCHEMBL5863798

O=C1c2ccncc2CCN1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 3/20 0.59
GRM5 P41594 1/20 0.56
ACHE P22303 2/20 0.50
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 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
SCHEMBL4074911 0.89 DHPS (0.59) DHPSGRM5ACHEDDB1CRBN
SCHEMBL15466722 0.83 GAA (0.51) DHPSSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29438657 0.83 ACHE (0.55) DHPSGRM5ACHEALDH1A1
SCHEMBL29438678 0.82 DHPS (0.61) DHPSGRM5ACHESMN1; SMN2KDM4E
SCHEMBL29657194 0.82 GRM5 (0.64) DHPSGRM5ACHEDDB1CRBN
SCHEMBL5864288 0.78 GRM5 (0.54) DHPSGRM5ACHEDDB1CRBN
SCHEMBL19852204 0.77 HRH3 (0.41) DHPSACHE
SCHEMBL29500307 0.76 DHPS (0.46) DHPSGRM5ACHEL3MBTL1SMN1; SMN2
SCHEMBL29500348 0.76 DHPS (0.54) DHPSGRM5ACHEMAPK1L3MBTL1
SCHEMBL8866710 0.75 CYP11B2 (0.56) GRM5DDB1CRBNMEN1KMT2A

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-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2003-07-03 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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 (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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC DHPS 1834/4885GRM5 3756/4885ACHE 2005/4885
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition HAX1, HTR1D, CHRM1 DHPS 3107/4885GRM5 266/4885ACHE 41/4885

“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.