SCHEMBL6224320

SCHEMBL6224320

N=C(N)NC1C2CC3CC(C2)CC1(N)C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT6 P42226 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6155965 0.87 LMNA (0.34) SIGMAR1LMNATSHRSLC22A2SLC22A1
SCHEMBL8221572 0.78 THRB (0.40) SIGMAR1LMNATSHRSLC22A2SLC22A1
SCHEMBL6155972 0.75 SIGMAR1 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28880587 0.73 TGM2 (0.36) TSHRTHRBEPHX2ALDH1A1
SCHEMBL9115097 0.67 EPHX2 (0.54) SIGMAR1EPHX2
Hydrochloric Acid SCHEMBL9115349 0.66 SIGMAR1 (0.55) SIGMAR1EPHX2
SCHEMBL12837664 0.66 EPHX2 (0.34) SIGMAR1EPHX2
SCHEMBL6158216 0.65 EPHX2 (0.33) EPHX2
SCHEMBL1497395 0.65 LMNA (0.43) SIGMAR1LMNATSHRSLC22A2SLC22A1
Hydrochloric Acid SCHEMBL2807432 0.63 LMNA (0.46) SIGMAR1LMNATSHRSLC22A2SLC22A1

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-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS VYMED CORPORATION (US) 2014-03-13 US disclosed
EP-1406619-A4 ANTIVIRAL AND ANTIMICROBIAL GUANIDINE OR BIGUANIDINE DERIVATIVES SHETTY B VITHAL (US) 2005-02-02 EP disclosed
US-20040132993-A1 Antiviral and antimicrobial guanidine or biguanidine derivatives SHETTY B VITHAL (US) 2004-07-08 US disclosed
EP-1406619-A1 ANTIVIRAL AND ANTIMICROBIAL GUANIDINE OR BIGUANIDINE DERIVATIVES Shetty, B. Vithal (US) 2004-04-14 EP disclosed
US-6699989-B1 HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS (HTLV) AND LYMPHADENOPATHY ASSOCIATED VIRUS TREATMENT; AIDS VYMED CORPORATION 2004-03-02 US disclosed
WO-2002017916-A1 ANTIVIRAL AND ANTIMICROBIAL GUANIDINE OR BIGUANIDINE DERIVATIVES SHETTY B VITHAL (US) 2002-03-07 WO 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-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS GDA, GMPS, GANC SIGMAR1 1306/4885LMNA 3327/4885TSHR 4815/4885
US-20040132993-A1 Antiviral and antimicrobial guanidine or biguanidine derivatives GMPS, GDA, GANC SIGMAR1 1326/4885LMNA 2599/4885TSHR 4774/4885

“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.