SCHEMBL4605945

SCHEMBL4605945

Cc1[nH]cnc1CSCC/N=C(\NC#N)NCCSCc1nc[nH]c1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.80
SLC47A1 Q96FL8 2/20 0.80
MEN1 O00255 1/20 0.80
SLC22A2 O15244 1/20 0.80
LMNA P02545 1/20 0.80
CYP1A2 P05177 1/20 0.80
GLA P06280 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
TSHR P16473 1/20 0.80
ATP4A P20648 1/20 0.80
APEX1 P27695 1/20 0.80
PDE4A P27815 1/20 0.80
CYP2C19 P33261 1/20 0.80
ADRA1A P35348 1/20 0.80
ATP4B P51164 1/20 0.80
KMT2A Q03164 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
SLC47A2 Q86VL8 1/20 0.80
SLC22A8 Q8TCC7 1/20 0.80

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
SCHEMBL4605953 1.00 HRH2 (0.80) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL10858309 0.94 HRH2 (0.71) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL9867226 0.94 HRH2 (0.70) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL9867240 0.94 HRH2 (0.77) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL9867233 0.94 HRH2 (0.70) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL11169459 0.93 HRH2 (0.69) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL11153611 0.93 HRH2 (0.82) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL11160799 0.93 HRH2 (0.69) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL11169457 0.93 HRH2 (0.69) HRH2SLC47A1MEN1SLC22A2LMNA
SCHEMBL11169465 0.93 HRH2 (0.75) HRH2SLC47A1MEN1SLC22A2LMNA

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-8277782-B2 Antiinflammatory agent, metalloproteinase inhibitor, anti-oxidant and modifier of cell redox status, vitamins, inhibitor of activation of nuclear factor kappa beta THE PROCTER & GAMBLE COMPANY (US) 2012-10-02 US disclosed
EP-1294367-B1 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT PROCTER & GAMBLE (US) 2008-07-16 EP disclosed
US-20060193790-A1 Promoting whole body health THE PROCTER & GAMBLE COMPANY 2006-08-31 US disclosed
EP-1294367-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT The Procter & Gamble Company (US) 2003-03-26 EP disclosed
WO-2002002096-A2 ORAL COMPOSITIONS COMPRISING HOST-RESPONSE MODULATING AGENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-10 WO disclosed
US-5364616-A Use of H-2 antagonists for treatment of gingivitis THE PROCTER & GAMBLE COMPANY (US) 1994-11-15 US disclosed
US-5294433-A Dentistry THE PROCTER & GAMBLE COMPANY (US) 1994-03-15 US disclosed
US-4105770-A HISTAMINE ANTIAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-08 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-20060193790-A1 Promoting whole body health IFNG, TNF, TLR6 HRH2 602/4885SLC47A1 658/4885MEN1 4414/4885

“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.