SCHEMBL5730004

SCHEMBL5730004

COc1cc(CSC2=NCCN2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
GFER P55789 3/20 0.64
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
HIF1A Q16665 1/20 0.51
USP2 O75604 1/20 0.51
RAB9A P51151 2/20 0.48
LMNA P02545 6/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.41
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 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
SCHEMBL5730840 0.82 KMT2A (0.60) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5731591 0.77 KMT2A (0.64) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5730153 0.75 GFER (0.62) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL10777223 0.75 HTR1B (0.57) CYP1A2CYP2D6LMNAPTGS2TSHR
SCHEMBL5731407 0.71 MAPT (0.66) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL3163430 0.70 MAPT (0.65) KMT2AGFERMAPTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL3180041 0.69 KMT2A (0.63) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL3176463 0.69 MAPT (0.98) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL5732396 0.69 KMT2A (0.57) KMT2AGFERMAPTSMN1; SMN2CYP1A2
SCHEMBL10614759 0.69 PTGS2 (0.61) KMT2AMAPTMEN1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219898-A1 COMPOUNDS AND METHODS FOR BLOCKING APOPTOSIS AND INDUCING AUTOPHAGY HARVARD COLLEGE (US) 2023-07-13 US disclosed
US-20230219898-A1 COMPOUNDS AND METHODS FOR BLOCKING APOPTOSIS AND INDUCING AUTOPHAGY HARVARD COLLEGE (US) 2023-07-13 US disclosed
WO-2021257697-A1 COMPOUNDS AND METHODS FOR BLOCKING APOPTOSIS AND INDUCING AUTOPHAGY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-23 WO disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 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 (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-20230219898-A1 COMPOUNDS AND METHODS FOR BLOCKING APOPTOSIS AND INDUCING AUTOPHAGY BECN1, SQSTM1, ATG7 KMT2A 3871/4885GFER 4284/4885MAPT 463/4885

“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.