SCHEMBL7345258

SCHEMBL7345258

CN(C)/C=C/C(=O)/C=C/N(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 8/20 0.52
MAPT P10636 7/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 4/20 0.46
RECQL P46063 2/20 0.44
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.35

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
SCHEMBL7345262 1.00 TDP1 (0.52) TDP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL25850172 0.89 ALDH1A1 (0.46) TDP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL27746306 0.85
SCHEMBL2439289 0.83
SCHEMBL25246733 0.78
SCHEMBL15043324 0.78
SCHEMBL951880 0.78
SCHEMBL263813 0.78
SCHEMBL1430406 0.78
SCHEMBL951882 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3655408-B1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE US HEALTH (US) 2021-07-14 EP claimed
US-10994029-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-05-04 US claimed
US-20200179536-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2020-06-11 US claimed
US-11707537-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-25 US disclosed
US-11707537-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-25 US disclosed
US-20210220490-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2021-07-22 US disclosed
EP-3655408-B1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE US HEALTH (US) 2021-07-14 EP disclosed
EP-3655408-B1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE US HEALTH (US) 2021-07-14 EP disclosed
US-10994029-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-05-04 US disclosed
US-20200179536-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2020-06-11 US disclosed
EP-3655408-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2020-05-27 EP disclosed
WO-2019040825-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-28 WO disclosed
WO-2019040825-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-28 WO disclosed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 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 (4 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-20210220490-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE IK, FAR1, SPR TDP1 1492/4885ALDH1A1 629/4885MAPT 1306/4885
US-10994029-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range IK, FAR1, SPR TDP1 1492/4885ALDH1A1 629/4885MAPT 1306/4885
US-20200179536-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE IK, FAR1, SPR TDP1 1492/4885ALDH1A1 629/4885MAPT 1306/4885
US-11707537-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range IK, FAR1, SPR TDP1 1492/4885ALDH1A1 629/4885MAPT 1306/4885

“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.