SCHEMBL4866756

SCHEMBL4866756

Cc1ccc2ncc([N+](=O)[O-])cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
KMT2A Q03164 5/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 3/20 0.55
MITF O75030 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
MMP2 P08253 4/20 0.50
MMP9 P14780 4/20 0.50
MMP8 P22894 4/20 0.50
MMP13 P45452 4/20 0.50
HTT P42858 3/20 0.47
JAK2 O60674 1/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ACHE P22303 2/20 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
SCHEMBL28189359 0.87 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL10762975 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL28110425 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL360009 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2810966 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL29620071 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL30129995 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL28110970 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL2815910 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2230388 0.77 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107488145-A A kind of Quinoline N-Oxide derivative of nitro substitution and preparation method thereof 河南中医药大学 2017-12-19 CN disclosed
US-7390819-B2 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-06-24 US disclosed
EP-1599473-B1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2006-09-20 EP disclosed
US-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-07-20 US disclosed
CN-1751043-A Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-03-22 CN disclosed
EP-1599473-A1 IMIDAZO 4,5-B QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2005-11-30 EP disclosed
WO-2004076451-A1 IMIDAZO[4,5-B]QUINOLINE-DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2004-09-10 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-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors NOS2, NOS1, NOS3 ALDH1A1 375/4885KMT2A 1659/4885MAPT 4210/4885

“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.