SCHEMBL6225852

SCHEMBL6225852

N#CN=C(NC#N)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.39
EPHX1 P07099 5/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.37
MMP2 P08253 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP8 P22894 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL10575962 0.88 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10575967 0.80 SIGMAR1 (0.63) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16349422 0.73 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30751975 0.73 SIGMAR1 (0.55) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10578986 0.73 SMN1; SMN2 (0.41) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10578990 0.73 SMN1; SMN2 (0.41) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL24726743 0.71 SMN1; SMN2 (0.46) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19240804 0.71 SMN1; SMN2 (0.46) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19486631 0.71 SMN1; SMN2 (0.46) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11729576 0.71 SMN1; SMN2 (0.46) SIGMAR1SMN1; SMN2NPC1RAB9AMAPT

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 1306/4885SMN1; SMN2 2638/4885NPC1 1606/4885
US-20040132993-A1 Antiviral and antimicrobial guanidine or biguanidine derivatives GMPS, GDA, GANC SIGMAR1 1326/4885SMN1; SMN2 3387/4885NPC1 1829/4885

“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.