SCHEMBL13201640

SCHEMBL13201640

CC[n+]1c(/C=C/c2ccc(N(C)CCOOC#CI)c3nonc23)sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 10/20 0.41
APP P05067 2/20 0.38
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
THRB P10828 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 1/20 0.36
MMP14 P50281 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL62459 0.83 INSR (0.47) INSRAPPKMT2AMAPTHTT
SCHEMBL13201635 0.81 MEN1 (0.30) KMT2ANPC1RAB9AMEN1USP2
SCHEMBL13218912 0.73 INSR (0.44) INSRAPPKMT2AMAPTHTT
SCHEMBL13201651 0.72 MAPT (0.42) INSRAPPKMT2AMAPTHTT
SCHEMBL62618 0.71 INSR (0.52) INSRAPPKMT2AMAPTHTT
SCHEMBL60940 0.71 INSR (0.49) INSRAPPKMT2AMAPTHTT
SCHEMBL62493 0.71 INSR (0.49) INSRAPPKMT2AMAPTHTT
SCHEMBL61009 0.70 INSR (0.42) INSRAPPKMT2AMAPTHTT
SCHEMBL62438 0.69 INSR (0.42) INSRAPPKMT2AMAPTHTT
SCHEMBL13232760 0.68 INSR (0.43) INSRAPPKMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885APP 4640/4885KMT2A 3702/4885

“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.