SCHEMBL20889727

SCHEMBL20889727

COc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.77
HPGD P15428 5/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
ALDH1A1 P00352 6/20 0.76
KDM4E B2RXH2 5/20 0.76
HTT P42858 2/20 0.76
MAPT P10636 5/20 0.73
TP53 P04637 2/20 0.73
NPY1R P25929 1/20 0.73
NPY2R P49146 1/20 0.73
TUBB4A P04350 4/20 0.71
TUBB P07437 4/20 0.71
TUBA3C P0DPH7 4/20 0.71
TUBA1B P68363 4/20 0.71
TUBA4A P68366 4/20 0.71
TUBB4B P68371 4/20 0.71
TUBB3 Q13509 4/20 0.71
TUBB2A Q13885 4/20 0.71
TUBB8 Q3ZCM7 4/20 0.71
TUBA3E Q6PEY2 4/20 0.71

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
SCHEMBL1966999 0.87 GAA (1.00) GAAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20889693 0.86 GAA (0.71) GAAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1964838 0.83 TUBB4A (1.00) GAAALDH1A1KDM4EMAPTTP53
SCHEMBL28713723 0.82 TUBB4A (0.93) GAAHPGDALDH1A1KDM4EMAPT
SCHEMBL20889563 0.82 GAA (0.76) GAAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2995123 0.80 TUBB4A (0.93) GAASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL20889704 0.78 GAA (0.66) GAAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6645121 0.78 GAA (0.71) GAAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1968252 0.77 TUBB4A (0.67) GAAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20889288 0.77 NR1H4 (0.57) GAAHPGDSMN1; SMN2ALDH1A1KDM4E

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-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
WO-2019070943-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 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-11530209-B2 Small molecule inhibition of transcription factor SALL4 and uses thereof SALL4, GLI2, TCF4 GAA 3761/4885HPGD 4496/4885SMN1; SMN2 2290/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 GAA 3761/4885HPGD 4496/4885SMN1; SMN2 2290/4885

“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.