SCHEMBL20889479

SCHEMBL20889479

Oc1ccc(F)cc1-c1nc2cnccn2c1NC1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.78
KDM4E B2RXH2 4/20 0.78
ALDH1A1 P00352 4/20 0.78
MAPT P10636 4/20 0.78
HTT P42858 3/20 0.78
XBP1 P17861 1/20 0.78
GFER P55789 2/20 0.76
MEN1 O00255 2/20 0.76
LMNA P02545 2/20 0.76
TP53 P04637 2/20 0.76
CASP1 P29466 2/20 0.76
CASP7 P55210 2/20 0.76
KMT2A Q03164 2/20 0.76
ALOX15 P16050 1/20 0.76
TSHR P16473 1/20 0.76
MAPK1 P28482 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
HSD17B10 Q99714 1/20 0.76
SALL4 Q9UJQ4 3/20 0.62
ALOX5 P09917 3/20 0.59

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
SCHEMBL20889737 0.90 GAA (0.85) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889510 0.85 GAA (0.74) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889284 0.85 GAA (0.74) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889739 0.84 ALOX5 (0.67) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889480 0.83 ALOX5 (0.79) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889481 0.82 ALOX5 (0.71) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL22513797 0.80 SALL4 (0.68) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL22513654 0.80 GAA (0.75) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889747 0.79 GAA (0.67) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL20889277 0.78 ALOX5 (0.79) GAAKDM4EALDH1A1MAPTHTT

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 3761/4885KDM4E 1267/4885ALDH1A1 1038/4885
US-20200317664-A1 SMALL MOLECULE INHIBITION OF TRANSCRIPTION FACTOR SALL4 AND USES THEREOF SALL4, GLI2, TCF4 GAA 3761/4885KDM4E 1267/4885ALDH1A1 1038/4885

“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.