SCHEMBL29858970

SCHEMBL29858970

COC(=O)c1cc(-c2ccccc2)cc(N)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
CFTR P13569 1/20 0.53
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCC1 P33527 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NR4A2 P43354 2/20 0.46
EGFR P00533 1/20 0.46
IKBKB O14920 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL28726425 0.89 TSHR (0.53) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL23645723 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL5034729 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL11289979 0.84 EGFR (0.50) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL29141387 0.83 LMNA (0.47) ALDH1A1GAAMAPTHPGDMEN1
SCHEMBL6833625 0.82 IKBKB (0.49) ALDH1A1HSD17B10GAAMAPTHPGD
Hydrochloric Acid SCHEMBL27544982 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL28901175 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL421466 0.81 IKBKB (0.65) ALDH1A1HSD17B10CFTRGAAMAPT
SCHEMBL1317476 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRGAAMAPT

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-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-20220289673-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2022-09-15 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-20220289673-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP ALDH1A1 3953/4885HSD17B10 3579/4885CFTR 3201/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP ALDH1A1 3953/4885HSD17B10 3579/4885CFTR 3201/4885

“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.