SCHEMBL4765839

SCHEMBL4765839

CC[n+]1cccc(-c2ccc(N=O)c(OC)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
THRB P10828 2/20 0.32
APEX1 P27695 2/20 0.32
MAPK1 P28482 2/20 0.32
RECQL P46063 2/20 0.32
GGPS1 O95749 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL14074156 0.79 HPGD (0.63) CYP3A4HPGDTDP1ALDH1A1HSD17B10
SCHEMBL2955866 0.78 CHEK1 (0.46) TDP1ALDH1A1LMNA
SCHEMBL13177941 0.74 CYP1A2 (0.46) CYP3A4KDM4EPKMAPOBEC3AAPOBEC3G
SCHEMBL2737196 0.73 KDM4E (0.51) LMNAKDM4EPKMAPOBEC3AAPOBEC3G
SCHEMBL20123364 0.71 ALDH1A1 (0.54) CYP3A4HPGDTDP1ALDH1A1HSD17B10
SCHEMBL4765850 0.70 MKNK1 (0.59) CYP3A4HPGDTDP1ALDH1A1HSD17B10
SCHEMBL14350758 0.70 HPGD (0.49) CYP3A4HPGDTDP1ALDH1A1HSD17B10
SCHEMBL28333949 0.69 LMNA (0.60) ALDH1A1LMNAKDM4EPKMAPOBEC3A
SCHEMBL12428994 0.69 CHEK1 (0.45) TDP1ALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL10428847 0.67 LMNA (0.58) ALDH1A1LMNAKDM4EPKMAPOBEC3A

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CYP3A4 2589/4885HPGD 415/4885TDP1 2000/4885

“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.