SCHEMBL2058834

SCHEMBL2058834

CON=Cc1nc2cnc3ccccc3c2n1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TLR7 Q9NYK1 3/20 0.38
POLB P06746 2/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL2058833 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHTTL3MBTL1RAB9A
SCHEMBL1490753 0.83 SMN1; SMN2 (0.43) ALDH1A1KDM4EHTTL3MBTL1RAB9A
SCHEMBL2059201 0.81 TLR7 (0.52) LMNATLR7POLBHRH2ADRA1D
SCHEMBL2059203 0.81 TLR7 (0.52) LMNATLR7POLBHRH2ADRA1D
SCHEMBL6722356 0.78 TLR7 (0.41) ALDH1A1KDM4EHTTL3MBTL1RAB9A
SCHEMBL6724014 0.77 SMN1; SMN2 (0.47) ALDH1A1KDM4EHTTL3MBTL1LMNA
SCHEMBL6719536 0.77 L3MBTL1 (0.42) ALDH1A1KDM4EHTTL3MBTL1RAB9A
SCHEMBL9602807 0.76 TLR7 (0.43) ALDH1A1KDM4EHTTL3MBTL1RAB9A
SCHEMBL1170709 0.76 TLR7 (0.49) ALDH1A1KDM4EHTTL3MBTL1LMNA
SCHEMBL6719520 0.75 TLR7 (0.42) ALDH1A1L3MBTL1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968563-B2 Oxime and hydroxylamine substituted imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-28 US disclosed
US-20100069427-A9 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-03-18 US disclosed
US-20090062328-A1 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-05 US disclosed
EP-1846405-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO 4,5-C RING COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006086634-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 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-20100069427-A9 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods IFNG, IL4, IRF3 ALDH1A1 872/4885KDM4E 512/4885HTT 3496/4885
US-20090062328-A1 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods IFNG, IL4, IRF3 ALDH1A1 872/4885KDM4E 512/4885HTT 3496/4885

“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.