SCHEMBL22424898

SCHEMBL22424898

COc1ccc(OC)c(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.74
▸ MEN1 O00255 7/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ GAA P10253 3/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NTRK1 P04629 1/20 0.52
▸ NTRK2 Q16620 1/20 0.52

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
SCHEMBL22425033 0.91 MAPT (0.74) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL22425115 0.87 MAPT (0.73) MAPTMEN1KMT2APOLBGAA
SCHEMBL22425070 0.86 MAPT (0.67) MAPTMEN1KMT2ARXFP1TP53
SCHEMBL24430209 0.85 MAPT (1.00) MAPTMEN1KMT2APOLBGAA
SCHEMBL22425306 0.85 MAPT (0.73) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL24430194 0.83 MAPT (0.70) MAPTMEN1KMT2AMAPK1TP53
SCHEMBL24430181 0.82 MAPT (0.69) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL19427443 0.82 MEN1 (0.75) MAPTMEN1KMT2APOLBGAA
SCHEMBL22425132 0.82 MEN1 (0.58) MAPTMEN1KMT2APOLBGAA
SCHEMBL19427492 0.82 MEN1 (0.84) MAPTMEN1KMT2APOLBGAA

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

“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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