SCHEMBL24430188

SCHEMBL24430188

COC(=O)c1cccc(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.62
▸ RAB9A P51151 6/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ BCL6 P41182 1/20 0.57
▸ BCOR Q6W2J9 1/20 0.57
▸ GPR17 Q13304 1/20 0.55
▸ TSHR P16473 1/20 0.54
▸ APEX1 P27695 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 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
SCHEMBL22425143 0.90 BCL6 (0.55) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL24430166 0.90 MAPT (0.60) MAPTNPC1KMT2AMEN1BCL6
SCHEMBL22425071 0.88 KMT2A (0.64) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL22425032 0.88 MAPT (0.67) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL22425304 0.85 KMT2A (0.64) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL24430194 0.83 MAPT (0.70) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL22425264 0.81 KMT2A (0.66) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL20777328 0.81 MAPT (0.75) MAPTKMT2AMEN1TSHRAPEX1
SCHEMBL22424893 0.80 MAPT (0.72) MAPTKMT2AMEN1BCL6BCOR
SCHEMBL474689 0.79 BCL6 (0.64) MAPTRAB9ANPC1KMT2AMEN1

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 3372/4885RAB9A 348/4885NPC1 3236/4885
US-20230366033-A1 METHODS FOR TREATING CANCERS WITH INHIBITORS TARGETING THE ROLE OF GRB2 IN DNA REPAIR GRB2, RAD51, MRE11 MAPT 4193/4885RAB9A 1780/4885NPC1 4337/4885

“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.

Send feedback