SCHEMBL8229546

SCHEMBL8229546

C[C@@H]1NCCNCCNCCNCCN[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43
CXCR4 P61073 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALPL P05186 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 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
SCHEMBL8631773 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL8698710 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL8698714 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL14407774 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRCXCR4
SCHEMBL1190325 0.89
SCHEMBL1190367 0.89
SCHEMBL1190324 0.89
SCHEMBL1190366 0.89
SCHEMBL14900784 0.89 ALPL (0.36) MAPTALPLL3MBTL1
Hydrochloric Acid SCHEMBL30106556 0.85

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-20210008031-A1 SUPER-OXIDE DISMUTASE MIMETICS KEREOS, INC. 2021-01-14 US disclosed
US-20190328704-A1 SUPER-OXIDE DISMUTASE MIMETICS KEREOS, INC. 2019-10-31 US disclosed
US-10350193-B2 Super-oxide dismutase mimetics GALERA LABS, LLC (US) 2019-07-16 US disclosed
US-20160263085-A1 SUPER-OXIDE DISMUTASE MIMETICS KEREOS, INC. 2016-09-15 US disclosed
US-9353069-B2 Super-oxide dismutase mimetics GALERA LABS, LLC (US) 2016-05-31 US disclosed
US-8486928-B2 Super-oxide dismutase mimetics GALERA THERAPEUTICS (US) 2013-07-16 US disclosed
US-20100256178-A1 SUPER-OXIDE DISMUTASE MIMETICS GALERA LABS, LLC 2010-10-07 US disclosed
US-20090131377-A1 Combinations of Superoxide Dismutase Mimetics and Nonsteroidal Analgesic/Anti-Inflammatory Drugs METAPHORE PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
WO-2006083508-A2 COMBINATIONS OF SUPEROXIDE DISMUTASE MIMETICS AND NONSTEROIDAL ANALGESIC/ANTI-INFLAMMATORY DRUGS METAPHORE PHARMACEUTICALS INC. (US) 2006-08-10 WO disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease METAPHORE PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-5721361-A CONTACTING A DIAMINE OR TRIAMINE AND A DICARBOXYLIC ACID OR ESTER IN THE PRESENCE OF A BASE AND SOLVENT; COUPLING AGENT; REDUCTION; COMPLEXING WITH MANGANESE COMPOUNDS; ION EXCHANGING THE MONSANTO COMPANY (US) 1998-02-24 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 (7 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-20050171198-A1 SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease SOD1, MPO, SOD3 HIF1A 2152/4885MAPT 3249/4885PDE4A 2500/4885
US-20190328704-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT HIF1A 1196/4885MAPT 3561/4885PDE4A 2471/4885
US-10350193-B2 Super-oxide dismutase mimetics SOD1, SOD3, CAT HIF1A 1184/4885MAPT 3556/4885PDE4A 2549/4885
US-20100256178-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT HIF1A 1184/4885MAPT 3556/4885PDE4A 2549/4885
US-20090131377-A1 Combinations of Superoxide Dismutase Mimetics and Nonsteroidal Analgesic/Anti-Inflammatory Drugs SOD1, SOD3, CAT HIF1A 864/4885MAPT 3634/4885PDE4A 1035/4885
US-20160263085-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT HIF1A 1184/4885MAPT 3556/4885PDE4A 2549/4885
US-20210008031-A1 SUPER-OXIDE DISMUTASE MIMETICS SOD1, SOD3, CAT HIF1A 1196/4885MAPT 3561/4885PDE4A 2471/4885

“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.