SCHEMBL4124403

SCHEMBL4124403

CC(=O)c1c(I)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.55
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.44
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLK1 P53350 1/20 0.42
TP53 P04637 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL3370074 0.82 HSD17B10 (0.59) ALDH1A1HPGDMAPTHSD17B10KDM4E
SCHEMBL4960213 0.79 NCEH1 (0.42) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL7300345 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTPKM
SCHEMBL30714893 0.78 ABCG2 (0.54) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL975681 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL16869403 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTPKM
SCHEMBL426582 0.78 ABCG2 (0.54) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL4835012 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTPKM
SCHEMBL23391023 0.77 NCEH1 (0.51) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL1392829 0.77 NCEH1 (0.51) NCEH1ALDH1A1HPGDMAPTPKM

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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 NCEH1 2450/4885ALDH1A1 2299/4885HPGD 3746/4885

“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.