SCHEMBL1140923

SCHEMBL1140923

NC1(CNc2c([N+](=O)[O-])cnc3ccccc23)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 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
SCHEMBL1141072 0.86 MAPT (0.38) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL1140910 0.85 MAPT (0.39) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL1140961 0.83 MAPT (0.39) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL1895510 0.82 CHRM2 (0.41) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL8555439 0.80 RAB9A (0.38) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL5617114 0.79 MEN1 (0.42) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL1140764 0.78 POLB (0.38) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL18587552 0.77 MAPT (0.50) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL9602764 0.77 APP (0.44) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1141017 0.77 P2RX7 (0.40) MEN1KMT2ASMN1; SMN2RAB9ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2018-08-09 US disclosed
US-9938275-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-04-10 US disclosed
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2017-05-11 US disclosed
US-9550773-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-24 US disclosed
EP-1765348-B1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2016-08-03 EP disclosed
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2015-08-06 US disclosed
US-9006264-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-14 US disclosed
US-20140011777-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-01-09 US disclosed
US-8541438-B2 Substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-24 US disclosed
US-20110092477-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2011-04-21 US disclosed
US-7884207-B2 such as 4-[(4-Amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)methyl]tetrahydro-2H-pyran-4-ol, used as immunomodulators, for inducing cytokine biosynthesis in animals and in the treatment of diseases including viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-08 US disclosed
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US 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 (6 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-20180222906-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 MEN1 2531/4885MAPT 4373/4885KMT2A 4055/4885
US-20140011777-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 MEN1 2531/4885MAPT 4373/4885KMT2A 4055/4885
US-20070287724-A1 Substituted Imidazoquinolines, Imidazopyridines, and Imidazonaphthyridines IL2, IFNG, IL4 MEN1 2129/4885MAPT 4244/4885KMT2A 4053/4885
US-20150218162-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 MEN1 2531/4885MAPT 4373/4885KMT2A 4055/4885
US-20110092477-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 MEN1 2531/4885MAPT 4373/4885KMT2A 4055/4885
US-20170129891-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES IL2, IFNG, IL4 MEN1 2531/4885MAPT 4373/4885KMT2A 4055/4885

“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.