SCHEMBL22600368

SCHEMBL22600368

CCCC(C)(C)Nc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 4/20 0.37
FBP1 P09467 1/20 0.37
IDO1 P14902 1/20 0.37
ERBB2 P04626 1/20 0.36
ERBB4 Q15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8248128 0.81 GAA (0.50) GAAALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL23084782 0.81 MAPT (0.48) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL21790803 0.79 EPHX1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AEGFR
SCHEMBL21799923 0.79 MAPT (0.43) GAAALDH1A1SMN1; SMN2RAPGEF4KDM4E
SCHEMBL21790791 0.79 MEN1 (0.42) GAAALDH1A1HPGDRAB9ARAPGEF4
SCHEMBL1453847 0.77 GAA (0.43) GAAALDH1A1HPGDKMT2ACYP2D6
SCHEMBL21790484 0.76 TP53 (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL21790431 0.76 FBP1 (0.41) ALDH1A1RAB9AMEN1KMT2AEGFR
SCHEMBL21790488 0.74 NPC1 (0.48) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21790494 0.74 TNNI3K (0.40) ALDH1A1SMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS 2020-10-29 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 (1 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-20200339596-A1 FUROXAN-BASED COMPOUNDS AND USES THEREOF PARK7, HTT, PRDX5 GAA 988/4885ALDH1A1 1029/4885HPGD 102/4885

“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.