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SCHEMBL311219

SCHEMBL311219

Nc1nc2cc(OCC(=O)N3CCOCC3)ccc2c2c1nc1n2CCOC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ FKBP1A P62942 10/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ USP2 O75604 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL1775552 0.83 FKBP1A (0.44) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL311081 0.80 PRKDC (0.43) ALDH1A1MAPTTP53NPC1RAB9A
SCHEMBL1774551 0.78 FKBP1A (0.45) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL4243115 0.78 TLR7 (0.53) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL14572659 0.77 TLR7 (0.59) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL311967 0.77 ALDH1A1 (0.42) ALDH1A1HPGDPOLBMAPTTP53
SCHEMBL4543575 0.76 TLR7 (0.51) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL4245843 0.76 TLR7 (0.47) FKBP1ASMN1; SMN2NPC1
SCHEMBL4240976 0.75 TLR7 (0.48) ALDH1A1POLBFKBP1ASMN1; SMN2
SCHEMBL10123157 0.75 HRH4 (0.39) ALDH1A1POLBMAPTTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093390-B2 Substituted fused [1,2]imidazo[4,5-C] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-10 — — US disclosed
US-8093390-B2 Substituted fused [1,2]imidazo[4,5-C] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-10 — — US disclosed
US-8093390-B2 Substituted fused [1,2]imidazo[4,5-C] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-10 — — US disclosed
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 — — US disclosed
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 — — US disclosed
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 — — US disclosed
EP-1845986-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C]RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-10-24 — — EP disclosed
WO-2006086633-A2 SUBSTITUTED FUSED [1,2]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 (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-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods IL2, IFNG, IL4 ALDH1A1 890/4885HPGD 339/4885POLB 2129/4885

“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.