SCHEMBL6573768

SCHEMBL6573768

CC1=CC=C2C(=Nc3ccccc32)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
HK1 P19367 1/20 0.41
GALK1 P51570 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLK1 P53350 1/20 0.38
CDK2 P24941 4/20 0.38
SRC P12931 2/20 0.38
CTRB1 P17538 2/20 0.38
CCNE1 P24864 2/20 0.38
AHR P35869 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
SCHEMBL9302961 0.80 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1042744 0.79 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28746696 0.79 MAPT (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9303152 0.76 MAPT (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6571089 0.75 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29420631 0.74 GSK3A (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL31087892 0.72 CDK2 (0.34) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1120300 0.71 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29352286 0.71 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL21316073 0.71 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355881-A4 AN IMPROVED PROCESS FOR PREPARING PURE ONDANSETRON HYDROCHLORIDE DIHYDRATE TEVA PHARMA (IL) 2004-03-31 EP claimed
EP-1355881-A2 AN IMPROVED PROCESS FOR PREPARING PURE ONDANSETRON HYDROCHLORIDE DIHYDRATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-10-29 EP claimed
US-20020115707-A1 Process for preparing pure ondansetron hydrochloride dihydrate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-08-22 US claimed
WO-2002055492-A2 AN IMPROVED PROCESS FOR PREPARING PURE ONDANSETRON HYDROCHLORIDE DIHYDRATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-07-18 WO claimed
EP-1355881-A4 AN IMPROVED PROCESS FOR PREPARING PURE ONDANSETRON HYDROCHLORIDE DIHYDRATE TEVA PHARMA (IL) 2004-03-31 EP disclosed
EP-1355881-A2 AN IMPROVED PROCESS FOR PREPARING PURE ONDANSETRON HYDROCHLORIDE DIHYDRATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-10-29 EP disclosed
US-20020115707-A1 Process for preparing pure ondansetron hydrochloride dihydrate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-08-22 US disclosed
WO-2002055492-A2 AN IMPROVED PROCESS FOR PREPARING PURE ONDANSETRON HYDROCHLORIDE DIHYDRATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-07-18 WO disclosed
WO-1994009002-A1 2-(AZA-9-FLUORENONYL)CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed
US-5294610-A Staphylococcus; side effect reduction MERCK & CO. INC. (US) 1994-03-15 US 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-20020115707-A1 Process for preparing pure ondansetron hydrochloride dihydrate HTR4, DRD4, MLN MEN1 1830/4885KMT2A 1033/4885MAPT 4037/4885

“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.