SCHEMBL24430194

SCHEMBL24430194

COc1cccc(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.70
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ TP53 P04637 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ KMT2A Q03164 5/20 0.62
▸ NPC1 O15118 7/20 0.59
▸ RAB9A P51151 7/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ HTT P42858 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ STAT1 P42224 1/20 0.59
▸ MITF O75030 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ RAF1 P04049 1/20 0.55

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
SCHEMBL24430181 0.89 MAPT (0.69) MAPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL22425141 0.88 ALDH1A1 (0.61) MAPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL22425070 0.88 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL24430188 0.83 MAPT (0.62) MAPTALDH1A1TSHRKMT2ANPC1
SCHEMBL31040569 0.83 TP53 (0.87) MAPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL4893387 0.83 TP53 (0.87) MAPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL22424898 0.83 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL22425033 0.83 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL22425264 0.82 KMT2A (0.66) MAPTSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL24430209 0.82 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1TP53KMT2A

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 3372/4885SMN1; SMN2 1915/4885ALDH1A1 3816/4885
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR GRB2, RAD51, MRE11 MAPT 4193/4885SMN1; SMN2 2789/4885ALDH1A1 3059/4885

“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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