SCHEMBL24430209

SCHEMBL24430209

COc1ccccc1NC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 1.00
▸ KMT2A Q03164 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ RAB9A P51151 7/20 0.60
▸ SMN1; SMN2 Q16637 7/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ GLA P06280 1/20 0.53

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 0.85 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22424898 0.85 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22425115 0.84 MAPT (0.73) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL22425306 0.84 MAPT (0.73) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL22424893 0.84 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL22425076 0.83 MAPT (0.74) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL24430194 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL24430189 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13182404 0.82 MAPT (0.69) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24430181 0.82 MAPT (0.69) MAPTKMT2AMEN1ALDH1A1SMN1; 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 2 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

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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