SCHEMBL12005236

SCHEMBL12005236

CC(C)(C)OC(=O)CN1CCCN2CCN(CC(=O)OC(C)(C)C)CCCN(CC1)CC(Cc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NR1D1 P20393 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ USP14 P54578 1/20 0.38
▸ KCNJ1 P48048 3/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CCR3 P51677 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
SCHEMBL12004522 0.96 MAPT (0.42) ALDH1A1LMNAMAPTNR1D1HTT
SCHEMBL12018107 0.95 LMNA (0.37) ALDH1A1LMNAMAPTNR1D1HRH3
SCHEMBL17173855 0.91 MAPT (0.39) ALDH1A1LMNAMAPTNR1D1HTT
SCHEMBL10316863 0.86 HTR4 (0.36) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL16838295 0.84 HTT (0.45) ALDH1A1LMNAMAPTHRH3HTT
SCHEMBL10317084 0.83 TDP1 (0.46) ALDH1A1LMNAMAPTHTTCCR2
SCHEMBL16837404 0.82 HPGD (0.36) ALDH1A1LMNAHTTKDM4ESMN1; SMN2
SCHEMBL5864578 0.82 KCNJ1 (0.43) ALDH1A1LMNAMAPTNR1D1HTT
SCHEMBL12018106 0.82 HTR4 (0.34) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL10316938 0.81 PLA2G10 (0.39) ALDH1A1LMNAHTTSMN1; SMN2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476683-B1 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2019-04-03 — — EP disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 — — US disclosed
US-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-15 — — US disclosed
US-9061078-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-06-23 — — US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 — — 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-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 ALDH1A1 3814/4885LMNA 1883/4885MAPT 481/4885
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 ALDH1A1 3814/4885LMNA 1883/4885MAPT 481/4885

“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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