SCHEMBL12648563

SCHEMBL12648563

N=C(NCc1ccc(Cl)cc1)SCCCC1CNC=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 4/20 0.33
ALOX12 P18054 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
P2RX7 Q99572 1/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 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
SCHEMBL3441527 0.72 TAAR1 (0.37) ALDH1A1
SCHEMBL3441980 0.68 CMA1 (0.35) CYP2C9CYP2C19ALDH1A1IDO1SMN1; SMN2
SCHEMBL1334242 0.68 HRH3 (0.58) HRH3
Clobenpropit SCHEMBL19733457 0.68 HRH4 (0.65) HRH4HRH3CYP2C9CYP2C19
Clobenpropit SCHEMBL8312286 0.68 HRH4 (0.40) KMT2AMEN1HRH4HRH3CYP2C9
Clobenprobit SCHEMBL29613706 0.67 HRH4 (0.38) KMT2AMEN1HRH4HRH3CYP2C9
Clobenpropit SCHEMBL15130115 0.67 HRH4 (0.42) KMT2AMEN1HRH4HRH3CYP2C9
Iodide SCHEMBL11389787 0.66 MEN1 (0.52) KMT2AMEN1CYP2C9CYP2C19ALOX12
SCHEMBL16453344 0.59 MEN1 (0.55) KMT2AMEN1CYP2C9CYP2C19ALOX12
SCHEMBL4018773 0.58 CYP2C9 (0.66) KMT2AMEN1CYP2C9CYP2C19ALOX12

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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS KMT2A 2736/4885MEN1 3426/4885HRH4 4303/4885

“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.