SCHEMBL13461771

SCHEMBL13461771

N#CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ KDM4E B2RXH2 7/20 0.43
▸ GLA P06280 6/20 0.43
▸ GAA P10253 6/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPGD P15428 5/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37

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
SCHEMBL14414729 0.86 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1HPGDKMT2A
SCHEMBL13461764 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL25183608 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL13461769 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL14414728 0.80 RAB9A (0.50) ALDH1A1GAATDP1POLBMAPT
SCHEMBL11510888 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL13461766 0.78 ESR1 (0.40) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL13461772 0.77 POLB (0.44) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL10770551 0.74 ALDH1A1 (0.67) ALDH1A1TDP1KMT2APKMMEN1
Allisan SCHEMBL10586241 0.73 ALDH1A1 (0.91) ALDH1A1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7682408-B2 2,2,4-Tri(methyl-),6-((2-cyano-),4-(cyanomethoxycarbonyl-),6-(chloro-)-phenyl)-azo-),7-methylamido-1,2,3,4-tetrahydroquinoline;ink for ink jets; printing/dyeing; polyester textiles; wet fastness;wash fastness Dy Star Textilfarben GmbH & Co. (DE) 2010-03-23 — — US disclosed
US-20090064426-A1 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-03-12 — — US disclosed
WO-2007101828-A2 DISPERSE AZO DYESTUFFS DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-09-13 — — 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-20090064426-A1 DISPERSE AZO DYESTUFFS CCNT1, CYP1A1, CYP1B1 ALDH1A1 599/4885KDM4E 157/4885GLA 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.

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