SCHEMBL10317084

SCHEMBL10317084

O=C(CN1CCCN2CCN(CC(=O)OCc3ccccc3)CCCN(CC1)CC(Cc1ccc([N+](=O)[O-])cc1)C2)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ HTT P42858 2/20 0.45
▸ ATM Q13315 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CCR2 P41597 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16838309 0.96 TDP1 (0.48) TDP1HTTATMSMN1; SMN2MAPT
SCHEMBL12018109 0.95 SIGMAR1 (0.49) TDP1ATMCCR2
SCHEMBL16838295 0.85 HTT (0.45) TDP1HTTSMN1; SMN2MAPTLMNA
SCHEMBL12005236 0.83 ALDH1A1 (0.40) HTTSMN1; SMN2MAPTLMNAMAPK1
SCHEMBL7169664 0.82 LMNA (0.52) MAPTLMNAALDH1A1
SCHEMBL16837417 0.81 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1
SCHEMBL10316572 0.79 ALDH1A1 (0.57) HTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL12018107 0.79 LMNA (0.37) HTTSMN1; SMN2MAPTLMNAMAPK1
SCHEMBL12018118 0.79 HTT (0.38) TDP1HTTSMN1; SMN2MAPTLMNA
SCHEMBL12004522 0.78 MAPT (0.42) TDP1HTTSMN1; SMN2MAPTLMNA

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 9 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-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-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-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
EP-2476683-A2 NOVEL TETRA-AZA MACROCYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF Kyungpook National University Industry- Academic Cooperation Foundation (KR) 2012-07-18 — — EP 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 TDP1 4510/4885HTT 3118/4885ATM 1733/4885
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 TDP1 4510/4885HTT 3118/4885ATM 1733/4885

“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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