Sugi Predict

Sugi Predict / Compounds / SCHEMBL530957

SCHEMBL530957

SCHEMBL530957

C(/C=C/C=C/Nc1ccccc1)=N/c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 1.00
▸ KDM4E B2RXH2 3/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ ALDH1A1 P00352 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A1 P04798 1/20 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
SCHEMBL13790517 1.00 KMT2A (1.00) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
SCHEMBL27289392 1.00 KMT2A (1.00) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
SCHEMBL530958 1.00 KMT2A (1.00) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
SCHEMBL13790322 1.00 KMT2A (1.00) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
SCHEMBL47235 1.00 KMT2A (1.00) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
SCHEMBL13223423 1.00 KMT2A (1.00) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL42417 0.98 KMT2A (0.96) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2379569 0.98 KMT2A (0.96) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2918479 0.98 KMT2A (0.96) KMT2AKDM4ECYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL316433 0.98 KMT2A (0.96) KMT2AKDM4ECYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680677-A1 BENZOTHIENOPYRROLE CYANINE DYES Beckman Coulter, Inc. (US) 2026-01-21 — — EP disclosed
WO-2024196805-A1 BENZOTHIENOPYRROLE CYANINE DYES BECKMAN COULTER, INC. (US) 2024-09-26 — — WO disclosed
US-11813338-B2 Diagnosing and treating cancer THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-11-14 — — US disclosed
US-11813338-B2 Diagnosing and treating cancer THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-11-14 — — US disclosed
WO-2022129336-A1 PH RESPONSIVE CYANINE DYES AND CONJUGATES THEREOF BRACCO IMAGING SPA (IT) 2022-06-23 — — WO disclosed
US-9862682-B2 Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof BroadPharm (US) 2018-01-09 — — US disclosed
US-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF BroadPharm (US) 2017-07-13 — — US disclosed
US-20160222212-A1 Asulfonate Discrete PEG Based Dyes EQUIP, LLC (US) 2016-08-04 — — US disclosed
US-20160220703-A1 DIAGNOSING AND TREATING CANCER THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-08-04 — — US disclosed
US-20160220703-A1 DIAGNOSING AND TREATING CANCER THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-08-04 — — US disclosed
US-20020164577-A1 Detection of transmembrane potentials by optical methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-11-07 — — US disclosed
US-20020137201-A1 DETECTION OF TRANSMEMBRANE POTENTIALS BY OPTICAL METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-26 — — US disclosed
US-6342379-B1 Detection of transmembrane potentials by optical methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-29 — — US disclosed
WO-2001042211-A2 DETECTION OF TRANSMEMBRANE POTENTIALS BY OPTICAL METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-06-14 — — WO disclosed
US-6107066-A Detection of transmembrane potentials by optical methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-22 — — US disclosed
EP-0977035-A2 A system for determining the electrical potential across a membrane REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-02 — — EP disclosed
EP-0834074-B1 DETECTION OF TRANSMEMBRANE POTENTIALS BY OPTICAL METHODS UNIV CALIFORNIA (US) 1999-11-03 — — EP disclosed
EP-0873746-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 — — EP disclosed
EP-0834074-A1 DETECTION OF TRANSMEMBRANE POTENTIALS BY OPTICAL METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-08 — — EP disclosed
WO-1996041166-A2 DETECTION OF TRANSMEMBRANE POTENTIALS BY OPTICAL METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 — — WO 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 (3 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-20160220703-A1 DIAGNOSING AND TREATING CANCER CHKA, CHKB, CILK1 KMT2A 805/4885KDM4E 1398/4885CYP2D6 4305/4885
US-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ABL1, EGFR, ALB KMT2A 2578/4885KDM4E 779/4885CYP2D6 505/4885
US-11813338-B2 Diagnosing and treating cancer CHKA, CHKB, CILK1 KMT2A 805/4885KDM4E 1398/4885CYP2D6 4305/4885

“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.