SCHEMBL10099018

SCHEMBL10099018

C=CCCCCc1cccc2c1nc(Cl)n2C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 3/20 0.32
TLR8 Q9NR97 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
CDK1 P06493 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL10089109 0.74
SCHEMBL806064 0.71 DAO (0.43) LMNAMAPTMEN1PKMHTT
SCHEMBL248775 0.64 TAAR1 (0.48) TDP1TLR8USP2ALDH1A1HPGD
SCHEMBL8062063 0.63 TAAR1 (0.47) TDP1TLR8USP2ALDH1A1HPGD
SCHEMBL8071303 0.63 TAAR1 (0.47) TDP1TLR8USP2ALDH1A1HPGD
SCHEMBL8076546 0.63 TAAR1 (0.47) TDP1TLR8USP2ALDH1A1HPGD
SCHEMBL8072572 0.63 TAAR1 (0.47) TDP1TLR8USP2ALDH1A1HPGD
SCHEMBL10099015 0.63 USP2 (0.30) TDP1USP2ALDH1A1HPGD
SCHEMBL9403712 0.62 TLR8 (0.45) LMNATDP1TLR8USP2ALDH1A1
SCHEMBL8072340 0.61 TSHR (0.50) MAPTTDP1TLR8TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF LMNA 2948/4885MAPT 4380/4885MEN1 4762/4885

“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.