SCHEMBL22425305

SCHEMBL22425305

O=C(Nc1cc(C(=O)O)cc(C(=O)O)c1)Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ BCL6 P41182 1/20 0.53
▸ BCOR Q6W2J9 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ KLK7 P49862 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ XDH P47989 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL22425303 0.90 MAPT (0.64) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22425304 0.89 KMT2A (0.64) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL24430166 0.85 MAPT (0.60) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL20777328 0.83 MAPT (0.75) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22424894 0.81 MAPT (0.61) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22425249 0.81 NPC1 (0.61) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22425232 0.81 MAPT (0.69) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22424899 0.80 MAPT (0.68) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22424896 0.79 MAPT (0.66) MAPTKMT2AMEN1APEX1KDM4E
SCHEMBL22425346 0.79 MAPT (0.76) MAPTKMT2AMEN1APEX1KDM4E

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 3372/4885KMT2A 2941/4885MEN1 2474/4885
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR GRB2, RAD51, MRE11 MAPT 4193/4885KMT2A 995/4885MEN1 3237/4885

“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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