SCHEMBL4412391

SCHEMBL4412391

N#Cc1c(C#N)c(C#N)c2c(ccc3ccccc32)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPRT1 P00492 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL22703043 0.92 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21791166 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21791068 0.85 HPRT1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28671989 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21791050 0.79 TSHR (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21298140 0.79 ANPEP (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL22650788 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21297893 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21298448 0.77 KDM4E (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21298261 0.77 ANPEP (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524891-B2 Tetraazaporphyrin-based compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2013-09-03 — — US disclosed
US-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses NATIONAL SCIENCE FOUNDATION 2009-08-27 — — US disclosed
EP-1912921-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-04-23 — — EP disclosed
WO-2007009101-A2 TETRAAZAPORPHYRIN-BASED COMPOUNDS AND THEIR USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-01-18 — — 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-20090215105-A1 Tetraazaporphyrin-Based Compounds and Their Uses DDB1, PPIF, SSBP1 ALDH1A1 4116/4885KDM4E 4194/4885HPGD 2418/4885

“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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