SCHEMBL3560733

SCHEMBL3560733

N=C(N)c1ccc(OCCCC2CCN(CCCOc3ccc(/C(N)=N/O)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
RAB9A P51151 2/20 0.48
PRSS1 P07477 7/20 0.47
TMPRSS2 O15393 2/20 0.47
ACHE P22303 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
PRMT1 Q99873 3/20 0.46
F2 P00734 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
PLAU P00749 1/20 0.46
PRMT5 O14744 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
PTP4A3 O75365 1/20 0.46
SLC22A3 O75751 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
S100B P04271 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46

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
SCHEMBL3565821 1.00 GAA (0.48) GAARAB9APRSS1TMPRSS2ACHE
SCHEMBL3565824 1.00 GAA (0.48) GAARAB9APRSS1TMPRSS2ACHE
SCHEMBL3560740 1.00 GAA (0.48) GAARAB9APRSS1TMPRSS2ACHE
SCHEMBL13403734 1.00 GAA (0.48) GAARAB9APRSS1TMPRSS2ACHE
SCHEMBL13403739 1.00 GAA (0.48) GAARAB9APRSS1TMPRSS2ACHE
SCHEMBL13403685 0.94 GAA (0.53) GAARAB9AACHEHRH3KCNH2
SCHEMBL2338942 0.94 GAA (0.53) GAARAB9AACHEHRH3KCNH2
SCHEMBL13403634 0.94 GAA (0.53) GAARAB9AACHEHRH3KCNH2
SCHEMBL2338934 0.94 GAA (0.53) GAARAB9AACHEHRH3KCNH2
Hydrochloric Acid SCHEMBL3562329 0.93 GAA (0.52) GAARAB9AACHEHRH3KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP 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-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 GAA 1705/4885RAB9A 351/4885PRSS1 769/4885

“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.