SCHEMBL7690744

SCHEMBL7690744

CC1=C(CN)C(=O)C2=Nc3ccccc3C2=C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
APAF1 O14727 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TSHR P16473 1/20 0.43
HK1 P19367 1/20 0.43
GALK1 P51570 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
PLK1 P53350 1/20 0.37
CDK2 P24941 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
SRC P12931 2/20 0.34
CTRB1 P17538 2/20 0.34
CCNE1 P24864 2/20 0.34

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
SCHEMBL13649286 0.70 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21316073 0.65 MEN1 (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28425344 0.64 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8690288 0.62 MEN1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28363963 0.62 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30608708 0.62 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3453661 0.62 IDO1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28428006 0.62 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3453836 0.62 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31069930 0.61 PLK1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020115707-A1 Process for preparing pure ondansetron hydrochloride dihydrate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-08-22 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 ALDH1A1 2498/4885MAPT 4037/4885MEN1 1830/4885

“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.