SCHEMBL3448100

SCHEMBL3448100

O=C1NC(=O)c2c(C#Cc3ccccc3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.54
GSK3B P49841 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP3 P42574 3/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL28460070 0.76 GRM5 (0.54) GRM5GSK3BKDM4EALDH1A1NPC1
SCHEMBL613587 0.75 KDM4E (0.42) GRM5GSK3BKDM4EALDH1A1HPGD
SCHEMBL9489040 0.75 GSK3B (0.46) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2807773 0.75 GSK3B (0.46) GRM5GSK3BKDM4EALDH1A1HPGD
SCHEMBL108548 0.75 ALOX15 (0.43) GRM5KDM4EALDH1A1NPC1HPGD
SCHEMBL29546502 0.75 ALOX15 (0.43) GRM5KDM4EALDH1A1NPC1HPGD
SCHEMBL29704524 0.74 GSK3B (0.45) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29367243 0.73 KDM4E (0.40) GRM5GSK3BKDM4EALDH1A1HPGD
SCHEMBL16754925 0.71 GSK3B (0.62) GSK3BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1666085 0.71 APP (0.63) GRM5KDM4EALDH1A1NPC1HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567800-A MOLECULAR WEIGHT CONTROLLED AROMATIC POLYIMIDES; ELONGATION, HIGH GLASS TRANSITION TEMPERATURE, TOUGHNESS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1996-10-22 US claimed
EP-2990431-B1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS BOEING CO (US) 2024-03-27 EP disclosed
EP-4332169-A2 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS The Boeing Company (US) 2024-03-06 EP disclosed
CN-110204716-A Polyimide oligomers and resin system 波音公司 2019-09-06 CN disclosed
CN-105384932-B Nano-modified backbone of polyimides with difunctional and mixed-functional endcaps 波音公司 2019-06-04 CN disclosed
US-9670325-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2017-06-06 US disclosed
US-9505864-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-11-29 US disclosed
US-9464171-B2 Peripherally aromatic silsesquioxanes featuring reactive functionality: synthesis and application thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2016-10-11 US disclosed
US-20160208053-A1 NANOMODIFIED BACKBONES FOR POLYIMIDES WITH DIFUNCTIONAL AND MIXED-FUNCTIONALITY ENDCAPS THE BOEING COMPANY 2016-07-21 US disclosed
US-9315633-B2 Nanomodified backbones for polyimides with difunctional and mixed-functionality endcaps THE BOEING COMPANY (US) 2016-04-19 US disclosed
US-8981140-B1 Peripherally aromatic silsesquioxanes featuring reactive functionality: synthesis and applications thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-03-17 US disclosed
US-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 US disclosed
EP-1018507-B1 Terminal-modified imide oligomers and cured products thereof UBE INDUSTRIES (JP) 2004-10-06 EP disclosed
EP-0966493-A4 REDUCED TEMPERATURE CURING OF ACETYLENIC POLYMERS COMMW SCIENT IND RES ORG (AU) 2004-04-21 EP disclosed
US-6344523-B1 POLYIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION OF CAMPBELL (AU) 2002-02-05 US disclosed
EP-0966493-A1 REDUCED TEMPERATURE CURING OF ACETYLENIC POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-12-29 EP disclosed
WO-1998040422-A1 REDUCED TEMPERATURE CURING OF ACETYLENIC POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-09-17 WO disclosed
US-5760168-A CONTROLLED MOLECULAR WEIGHT; FILMS, MOLDINGS, ADHESIVES, COMPOSITES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AEUONAUTICS AND SPACE ADMINISTRATION (US) 1998-06-02 US disclosed
US-5681967-A ENDCAPPING POLYAMIC ACIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-10-28 US disclosed
US-5567800-A MOLECULAR WEIGHT CONTROLLED AROMATIC POLYIMIDES; ELONGATION, HIGH GLASS TRANSITION TEMPERATURE, TOUGHNESS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1996-10-22 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 (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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME RAD51, ACTR2, ARID2 GRM5 893/4885GSK3B 4595/4885KDM4E 3785/4885

“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.