SCHEMBL10270182

SCHEMBL10270182

C=C(C)c1cc(I)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOS2 P35228 1/20 0.31
TTR P02766 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL21686326 0.81 KMT2A (0.38) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL2327264 0.79 KDM4E (0.41) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL6418163 0.78 KMT2A (0.52) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL10736197 0.77 ALOX15 (0.50) MAPTTHRBPKMTDP1ALDH1A1
SCHEMBL29467102 0.75 KEAP1 (0.57) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL16357251 0.75 KEAP1 (0.57) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL28121722 0.75 KDM4E (0.57) KDM4EKMT2AMAPTMEN1POLB
SCHEMBL20776932 0.72 IDO1 (0.33) KMT2ATTR
SCHEMBL29622706 0.72 KDM4E (0.63) KDM4EKMT2AGFERRXFP1MAPT
SCHEMBL145394 0.72 KDM4E (0.63) KDM4EKMT2AGFERRXFP1MAPT

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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 KDM4E 4201/4885KMT2A 4618/4885GFER 3732/4885

“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.