SCHEMBL61983

SCHEMBL61983

CC[n+]1ccc(/C=C/c2ccc(N(C)CCO)c3nonc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 8/20 0.33
ALDH1A1 P00352 7/20 0.33
LMNA P02545 3/20 0.33
CHAT P28329 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
AGTR1 P30556 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL13201635 0.80 MEN1 (0.30) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL62459 0.77 INSR (0.47) MEN1USP2RAB9AKMT2ANPC1
Iodide SCHEMBL8678340 0.76 RAB9A (0.44) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL61013 0.76 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13201623 0.75 GAA (0.44) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL61432 0.74 GAA (0.46) MEN1USP2RAB9AKMT2ANPC1
Iodide SCHEMBL7035383 0.72 KDM4A (0.49) MEN1USP2RAB9AKMT2ANPC1
Iodide SCHEMBL7035375 0.72 KDM4A (0.49) MEN1USP2RAB9AKMT2ANPC1
SCHEMBL13263336 0.70 ALDH1A1 (0.31) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL62619 0.68 GAA (0.35) MAPTALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 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 (2 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-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885USP2 4253/4885RAB9A 4451/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 MEN1 4815/4885USP2 4253/4885RAB9A 4451/4885

“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.