SCHEMBL6493971

SCHEMBL6493971

O=[N+]([O-])c1cnc2ccccc2c1NCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 3/20 0.54
GAA P10253 2/20 0.54
RAD52 P43351 2/20 0.54
MITF O75030 2/20 0.54
TTR P02766 1/20 0.54
GLA P06280 1/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 8/20 0.50
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 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
SCHEMBL2888870 0.92 POLB (0.56) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL1335235 0.91 POLB (0.51) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL4143499 0.90 MAPT (0.50) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL4316365 0.90 MAPT (0.50) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL12547956 0.89 MAPT (0.46) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL3168206 0.88 KMT2A (0.45) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL6098673 0.88 MAPT (0.52) POLBALDH1A1LMNARAB9ARAD52
SCHEMBL18587552 0.86 MAPT (0.50) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL5354341 0.86 CHRM2 (0.44) POLBALDH1A1LMNAKDM4ERAB9A
SCHEMBL3635649 0.86 CHRM2 (0.44) POLBALDH1A1LMNAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003153-B Nitrogen-containing five-membered heterocyclic quinoline compound and salt, preparation method, pharmaceutical composition and application thereof 中国医学科学院肿瘤医院 2021-04-30 CN disclosed
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 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-6916925-B1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES CO. (US) 2005-07-12 US disclosed
EP-1228147-B1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2004-02-04 EP disclosed
US-6630588-B2 Imidazonaphthyridine, imidazopyridine and imidazoquinoline compounds that have immune response modulating activity and that contain a dye moiety, in particular, a fluorescent dye moiety, e.g., dipyrrometheneboron difluoride dyes 3M INNOVATIVE PROPERTIES COMPANY 2003-10-07 US disclosed
US-20020120141-A1 Dye labeled imidazoquinoline compounds 3M INNOVATIVE PROPERTIES COMPANY 2002-08-29 US disclosed
EP-1228147-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M Innovative Properties Company (US) 2002-08-07 EP disclosed
US-6376669-B1 COMPLEXES 3M INNOVATIVE PROPERTIES COMPANY 2002-04-23 US disclosed
WO-2001034709-A1 DYE LABELED IMIDAZOQUINOLINE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-17 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 (4 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-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 POLB 1872/4885ALDH1A1 1659/4885LMNA 4021/4885
US-20020120141-A1 Dye labeled imidazoquinoline compounds LY96, CD74, IFNAR1 POLB 3400/4885ALDH1A1 1521/4885LMNA 3979/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 POLB 1872/4885ALDH1A1 1659/4885LMNA 4021/4885
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods IL2, IFNG, IL4 POLB 2129/4885ALDH1A1 890/4885LMNA 2548/4885

“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.