SCHEMBL6421065

SCHEMBL6421065

OC[C@H](Nc1ccc(Br)cn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
FDPS P14324 1/20 0.48
ALDH1A1 P00352 4/20 0.46
JAK3 P52333 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
EGFR P00533 3/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42
CCNC P24863 1/20 0.42

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
SCHEMBL6417188 0.78 TRPV3 (0.50) ALDH1A1JAK3IRAK4RAB9ANPC1
SCHEMBL19745879 0.78 IRAK4 (0.48) JAK3IRAK4EGFRKDM4EHTT
SCHEMBL19745878 0.78 IRAK4 (0.48) JAK3IRAK4EGFRKDM4EHTT
SCHEMBL6754929 0.78 KDM4E (0.69) FDPSALDH1A1JAK3IRAK4EGFR
SCHEMBL6420641 0.78 KDM4E (0.69) FDPSALDH1A1JAK3IRAK4EGFR
SCHEMBL7902111 0.77 FDPS (0.56) FDPSALDH1A1EGFRRAB9ASMN1; SMN2
SCHEMBL6421334 0.76 NPC1 (0.57) ALDH1A1JAK3IRAK4EGFRRAB9A
SCHEMBL19745585 0.75 JAK3 (0.46) JAK3IRAK4EGFRKDM4EHTT
SCHEMBL19745584 0.75 JAK3 (0.46) JAK3IRAK4EGFRKDM4EHTT
SCHEMBL19745586 0.75 JAK3 (0.46) JAK3IRAK4EGFRKDM4EHTT

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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols WASHINGTON UNIVERSITY 2005-11-17 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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols ADH5, DBI, ADH1A IDO1 1538/4885TDO2 555/4885FDPS 451/4885

“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.