Sugi Predict

Sugi Predict / Compounds / SCHEMBL61398

SCHEMBL61398

SCHEMBL61398

CCN(CC)c1ccc(/C=C/c2sc3ccccc3[n+]2CCNC(=O)CI)c2nonc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 13/20 0.42
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ APP P05067 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
SCHEMBL62438 0.85 INSR (0.42) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL62493 0.85 INSR (0.49) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL62618 0.84 INSR (0.52) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL60940 0.83 INSR (0.49) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL13232760 0.81 INSR (0.43) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL13218912 0.81 INSR (0.44) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL61942 0.81 GAA (0.35) MAPTALDH1A1LMNA
SCHEMBL61558 0.80 INSR (0.42) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL61009 0.78 INSR (0.42) INSRMAPTMEN1KMT2AALDH1A1
SCHEMBL61426 0.78 INSR (0.43) INSRMAPTMEN1KMT2AALDH1A1

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 6 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 4540/4885MAPT 2743/4885MEN1 4815/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885MAPT 2743/4885MEN1 4815/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885MAPT 2743/4885MEN1 4815/4885

“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.