SCHEMBL22424938

SCHEMBL22424938

COc1ccc(OC)c(NC(=O)Nc2ccc3c(c2)CC(=O)N3)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.64
▸ KMT2A Q03164 11/20 0.64
▸ MAPT P10636 8/20 0.58
▸ POLB P06746 1/20 0.54
▸ GAA P10253 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ IDH1 O75874 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL22425123 0.91 MEN1 (0.64) MEN1KMT2AMAPTPOLBGAA
SCHEMBL22425302 0.88 MEN1 (0.54) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL22425051 0.87 NPC1 (0.59) MEN1KMT2AMAPTPOLBGAA
SCHEMBL24430170 0.87 RAB9A (0.63) MEN1KMT2AMAPTPOLBGAA
SCHEMBL22425121 0.86 MAPT (0.53) MEN1KMT2AMAPTPOLBGAA
SCHEMBL22425050 0.84 RAB9A (0.61) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL24430205 0.83 MAPT (0.63) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL22424926 0.82 MAPT (0.51) MEN1KMT2AMAPTPOLBGAA
SCHEMBL19427443 0.78 MEN1 (0.75) MEN1KMT2AMAPTPOLBGAA
SCHEMBL19427492 0.78 MEN1 (0.84) MEN1KMT2AMAPTPOLBGAA

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

“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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