SCHEMBL17250090

SCHEMBL17250090

C(=C/Nc1ccccc1)\CNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ CTSD P07339 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOB P27338 2/20 0.34

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
Hydrochloric Acid SCHEMBL30991234 0.98 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1NPC1NFKB1
Hydrochloric Acid SCHEMBL8404079 0.84 KMT2A (0.46) ALDH1A1MAPTNPSR1NPC1NFKB1
Hydrochloric Acid SCHEMBL8404082 0.84 KMT2A (0.46) ALDH1A1MAPTNPSR1NPC1NFKB1
SCHEMBL14647878 0.84 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1SMN1; SMN2CA12
SCHEMBL12710386 0.84 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1SMN1; SMN2CA12
SCHEMBL23450303 0.81 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1NPC1NFKB1
SCHEMBL23450556 0.79 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1NPC1NFKB1
SCHEMBL31261530 0.78 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1NPC1NFKB1
SCHEMBL5548453 0.76 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1NPC1NFKB1
SCHEMBL17254235 0.76 KDM4E (0.46) ALDH1A1MAPTNPSR1NPC1NFKB1

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
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-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
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
EP-3476830-B1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LTD (GB) 2021-01-13 — — EP 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
US-20160177388-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2016-06-23 — — US disclosed
US-9309409-B2 Polymethine compounds and their use as fluorescent labels ILLUMINA CAMBRIDGE LIMITED (GB) 2016-04-12 — — US disclosed
US-20150322266-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2015-11-12 — — 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 (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 ALDH1A1 629/4885MAPT 1306/4885NPSR1 315/4885
US-10994029-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range IK, FAR1, SPR ALDH1A1 629/4885MAPT 1306/4885NPSR1 315/4885
US-20200179536-A1 CONFORMATIONAL RESTRICTION OF CYANINE FLUOROPHORES IN FAR-RED AND NEAR-IR RANGE IK, FAR1, SPR ALDH1A1 629/4885MAPT 1306/4885NPSR1 315/4885
US-11707537-B2 Conformational restriction of cyanine fluorophores in far-red and near-IR range IK, FAR1, SPR ALDH1A1 629/4885MAPT 1306/4885NPSR1 315/4885

“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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