SCHEMBL6687709

SCHEMBL6687709

O=C(NN=C(c1ccccc1)c1ccncc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.66
POLB P06746 1/20 0.65
AGTR1 P30556 2/20 0.65
BCHE P06276 1/20 0.65
MAPT P10636 3/20 0.63
RAB9A P51151 2/20 0.57
OPRK1 P41145 1/20 0.57
GSTA1 P08263 1/20 0.57
HTT P42858 3/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP3A4 P08684 2/20 0.55
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PLOD2 O00469 1/20 0.53
PLOD3 O60568 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL14413395 1.00 GAA (0.66) GAAPOLBAGTR1BCHEMAPT
SCHEMBL1562723 0.89 GSTA1 (0.68) POLBAGTR1BCHEMAPTRAB9A
SCHEMBL9768852 0.88 BCHE (0.67) GAAPOLBAGTR1BCHEMAPT
Isonicotinoylhydrazone Of Acetophenone SCHEMBL6637701 0.83 GAA (0.76) GAAPOLBMAPTRAB9AKDM4E
SCHEMBL1514859 0.83 POLB (0.68) GAAPOLBAGTR1MAPTRAB9A
SCHEMBL1514861 0.83 POLB (0.68) GAAPOLBAGTR1MAPTRAB9A
Isonicotinoylhydrazone Of Acetophenone SCHEMBL6637694 0.83 GAA (0.76) GAAPOLBMAPTRAB9AKDM4E
Hydrochloric Acid SCHEMBL10805629 0.82 ALDH1A1 (0.62) GAAPOLBAGTR1BCHEMAPT
SCHEMBL1025581 0.81 AGTR1 (0.76) GAAPOLBAGTR1MAPTRAB9A
SCHEMBL9768851 0.80 GAA (0.76) GAAPOLBMAPTRAB9AHTT

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
EP-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US disclosed
WO-2004076640-A2 SMALL-MOLECULE INHIBITORS OF ANGIOGENIN AND RNASES AND IN VIVO AND IN VITRO METHODS OF USING SAME AMBION, INC. (US) 2004-09-10 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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 GAA 168/4885POLB 3494/4885AGTR1 865/4885

“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.