SCHEMBL20073432

SCHEMBL20073432

CC(C)NCCNC(=S)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH2 P25021 1/20 0.40
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
EPHX1 P07099 1/20 0.31
CNR1 P21554 1/20 0.30
ADRA1A P35348 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL17664928 0.79 QPCT (0.44) QPCTHRH4HRH2ALDH1A1CYP1A2
SCHEMBL19420512 0.79 HRH2 (0.55) QPCTHRH4HRH2ALDH1A1MEN1
SCHEMBL10906577 0.79 QPCT (0.44) QPCTHRH4HRH2ALDH1A1CYP1A2
SCHEMBL22364147 0.79 QPCT (0.37) QPCTHRH4HRH2ALDH1A1CYP3A4
SCHEMBL28998258 0.77 QPCT (0.42) QPCTHRH4HRH2ALDH1A1CYP1A2
SCHEMBL12787075 0.77 ALDH1A1 (0.56) QPCTHRH4HRH2ALDH1A1CYP1A2
SCHEMBL11504380 0.76 MEN1 (0.52) QPCTHRH4HRH2ALDH1A1LMNA
SCHEMBL7726899 0.73
SCHEMBL16000786 0.73 EPHX1 (0.57) ALDH1A1LMNAMEN1KMT2AEPHX1
SCHEMBL17670557 0.72 EPHX1 (0.61) QPCTHRH4HRH2MEN1KMT2A

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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2018-04-19 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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 QPCT 2869/4885HRH4 3917/4885HRH2 4127/4885

“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.