SCHEMBL4584894

SCHEMBL4584894

CCCCCCCCCCCc1cs[c]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34
HTR2C P28335 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
SCHEMBL4586387 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL4584661 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL4584001 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL4583274 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL11478223 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL4584718 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL4585305 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL11462779 1.00 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL244220 0.98 KCNH2 (0.44) KCNH2ALDH1A1PKMHPGDPTGS2
SCHEMBL559033 0.92

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-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
EP-1843410-B1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORP (US) 2013-10-16 EP disclosed
EP-1843410-A2 Functionalized heteroacenes and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 EP disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 KCNH2 1459/4885ALDH1A1 2135/4885PKM 3237/4885

“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.