SCHEMBL22424893

SCHEMBL22424893

COC(=O)c1ccccc1NC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.72
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.53
▸ APEX1 P27695 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ BCL6 P41182 1/20 0.49
▸ BCOR Q6W2J9 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL24430209 0.84 MAPT (1.00) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL20777365 0.84 MAPT (0.68) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL22425076 0.82 MAPT (0.74) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL24430188 0.80 MAPT (0.62) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL24430166 0.80 MAPT (0.60) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL20777328 0.79 MAPT (0.75) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL16088699 0.78 MAPT (0.59) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL10175685 0.78 MAPT (0.65) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL22425250 0.78 MAPT (0.65) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL20772687 0.77 BCL6 (0.57) MAPTKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-16 — — US disclosed
US-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-19 — — US disclosed
WO-2020186202-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-09-17 — — 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 (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-20220151991-A1 SMALL MOLECULE GRB2 STABILIZERS FOR RAS MAP KINASE INHIBITION GRB2, KRAS, HRAS MAPT 3372/4885KDM4E 2747/4885ALDH1A1 3816/4885
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR GRB2, RAD51, MRE11 MAPT 4193/4885KDM4E 1900/4885ALDH1A1 3059/4885

“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.

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