SCHEMBL22424926

SCHEMBL22424926

COc1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ GFER P55789 1/20 0.51
▸ SMYD3 Q9H7B4 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TLK2 Q86UE8 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL25566737 0.91 MAPT (0.51) MAPTALDH1A1POLBGFERKDM4E
SCHEMBL22425121 0.90 MAPT (0.53) MAPTALDH1A1POLBSMYD3KDM4E
SCHEMBL22425051 0.84 NPC1 (0.59) MAPTPOLBSMYD3KDM4EGAA
SCHEMBL24430170 0.84 RAB9A (0.63) MAPTALDH1A1POLBKDM4EGAA
SCHEMBL22425043 0.83 SMYD3 (0.43) MAPTALDH1A1SMYD3KDM4EGAA
SCHEMBL22424938 0.82 MEN1 (0.64) MAPTALDH1A1POLBKDM4EGAA
SCHEMBL22425123 0.82 MEN1 (0.64) MAPTALDH1A1POLBSMYD3KDM4E
SCHEMBL22425052 0.81 NPC1 (0.57) MAPTPOLBSMYD3GAATLK2
SCHEMBL22425050 0.81 RAB9A (0.61) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL22425056 0.80 GRIN2D (0.56) POLBSMYD3TLK2LMNASMN1; SMN2

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 3372/4885ALDH1A1 3816/4885POLB 3387/4885
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR GRB2, RAD51, MRE11 MAPT 4193/4885ALDH1A1 3059/4885POLB 317/4885

“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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