SCHEMBL5879528

SCHEMBL5879528

N=C(N)Nc1nc(CN)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.42
AOC3 Q16853 7/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
PDE5A O76074 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CSNK2A1 P68400 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL10702053 0.86 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AAOC3MAOBPDE5A
SCHEMBL8409815 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBLMNA
SCHEMBL3478405 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBLMNA
SCHEMBL8008758 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBPDE5A
SCHEMBL9839087 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBPDE5A
Hydrochloric Acid SCHEMBL10703604 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBPDE5A
SCHEMBL6508131 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AAOC3MAOBPDE5A
Hydrochloric Acid SCHEMBL10823859 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBLMNA
Bromide SCHEMBL8421214 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AAOC3MAOBLMNA
Hydrochloric Acid SCHEMBL6512719 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AAOC3MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575144-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2013-11-05 US disclosed
US-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY (US) 2013-03-28 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 US disclosed
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY 2010-01-14 US disclosed
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY 2010-01-14 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
CN-1374960-A novel integrin receptor antagonists BASF AG (DE) 2002-10-16 CN disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 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-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT SMN1; SMN2 3154/4885KMT2A 2964/4885AOC3 2173/4885
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT SMN1; SMN2 3154/4885KMT2A 2964/4885AOC3 2173/4885

“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.