SCHEMBL10052139

SCHEMBL10052139

N#Cc1cccc(N=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ PDK2 Q15119 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ GRIA1 P42261 1/20 0.30
▸ CACNG8 Q8WXS5 1/20 0.30

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
SCHEMBL13077768 0.87 ALDH1A1 (0.37) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL8490160 0.85 LMNA (0.50) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL9422695 0.81 MAOA (0.46) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL13545545 0.78 NPC1 (0.37) LMNAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL14396043 0.78 CYP1A2 (0.46) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL12948003 0.78 ALDH1A1 (0.45) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL20079389 0.78 LMNA (0.41) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL645262 0.77 TSHR (0.48) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL3023046 0.76 SMN1; SMN2 (0.43) MAOAMAOBLMNAALDH1A1SMN1; SMN2
SCHEMBL13077769 0.73 SMN1; SMN2 (0.44) MAOAMAOBLMNAALDH1A1SMN1; SMN2

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-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2012-04-05 — — US disclosed
US-8057589-B2 Comprising a phase change ink carrier and a phthalocyanine molecule; radiation curable ink XEROX CORPORATION (US) 2011-11-15 — — US disclosed
US-7781026-B2 Ink compositions XEROX CORPORATION (US) 2010-08-24 — — US disclosed
US-7737270-B2 Method for producing a pigment CANON KABUSHIKI KAISHA (JP) 2010-06-15 — — US disclosed
US-7692024-B2 Gas generant compositions TK HOLDINGS, INC. (US) 2010-04-06 — — US disclosed
US-7544796-B2 Colorant compounds XEROX CORPORATION (US) 2009-06-09 — — US disclosed
US-20080182984-A1 METHOD FOR PRODUCING A PIGMENT CANON KABUSHIKI KAISHA (JP) 2008-07-31 — — US disclosed
US-20080152824-A1 Phase change inks XEROX CORPORATION 2008-06-26 — — US disclosed
US-20080154032-A1 Colorant compounds XEROX CORPORATION 2008-06-26 — — US disclosed
US-20080146795-A1 Colorant compounds XEROX CORPORATION 2008-06-19 — — US disclosed
US-20080145558-A1 Ink compositions XEROX CORPORATION 2008-06-19 — — US disclosed
US-20080110536-A1 for automotive restraint systems; 2,3-Bis (tetrazolo-5-yl) nitrobenzene and 3,4-Bis (tetrazolo-5-yl) nitrobenzene claimed: reduced solids; one step reaction of 2,3-dicyano Nitrobenzene, Sodium azide and Zinc Bromide DEUTSCHE BANK TRUST COMPANY AMERICAS, AS SECURITY AGENT FOR THE SECURED PARTIES 2008-05-15 — — 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 (2 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-20080110536-A1 for automotive restraint systems; 2,3-Bis (tetrazolo-5-yl) nitrobenzene and 3,4-Bis (tetrazolo-5-yl) nitrobenzene claimed: reduced solids; one step reaction of 2,3-dicyano Nitrobenzene, Sodium azide and Zinc Bromide CBR1, KAT2B, CBR3 MAOA 1779/4885MAOB 304/4885LMNA 4226/4885
US-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing RB1, IDH1, CRY1 MAOA 2688/4885MAOB 1901/4885LMNA 2460/4885

“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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