Sugi Predict

Sugi Predict / Compounds / SCHEMBL5419829

SCHEMBL5419829

SCHEMBL5419829

COc1ccc2nc(Br)sc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ NQO2 P16083 7/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PARP15 Q460N3 2/20 0.35
▸ PARP10 Q53GL7 2/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.35
▸ PARP2 Q9UGN5 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL19435575 0.86 KDM4E (0.48) ALDH1A1NQO2MEN1KMT2AKDM4E
SCHEMBL2676990 0.84 ALDH1A1 (0.57) ALDH1A1NQO2MEN1KMT2AKDM4E
SCHEMBL34471465 0.84 CYP3A4 (0.45) ALDH1A1NQO2KDM4EPARP15PARP10
SCHEMBL6982547 0.84 KDM4E (0.48) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL19435543 0.80 PDE4B (0.41) ALDH1A1NQO2MEN1KMT2AKDM4E
SCHEMBL21405801 0.79 TUBB4A (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL28495373 0.78 TUBB4A (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL5434005 0.78 KDM4E (0.51) ALDH1A1KDM4EGAAMAPTNPC1
SCHEMBL2402255 0.77 MEN1 (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL10187249 0.75 RAB9A (0.32) ALDH1A1KDM4EMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140348748-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-11-27 — — US disclosed
US-20140348748-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-11-27 — — US disclosed
WO-2013040183-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-03-21 — — WO disclosed
US-20070208066-A1 ER-beta-selective ligands BARLAAM BERNARD 2007-09-06 — — US disclosed
US-20060111408-A1 Therapeutic benzothiazole compounds BARLAAM BERNARD 2006-05-25 — — US disclosed
US-7045539-B2 Therapeutic benzoxazole compounds ASTRAZENECA AB (SE) 2006-05-16 — — US disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 — — 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-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 ALDH1A1 484/4885NQO2 1754/4885MEN1 915/4885
US-20070208066-A1 ER-beta-selective ligands ESR2, ESRRG, ESRRA ALDH1A1 1377/4885NQO2 2335/4885MEN1 1352/4885
US-20060111408-A1 Therapeutic benzothiazole compounds ESR1, ESR2, ESRRG ALDH1A1 501/4885NQO2 1336/4885MEN1 1309/4885
US-20140348748-A1 BETA-AMYLOID IMAGING AGENTS, METHODS OF MANUFACTURE, AND METHODS OF USE THEREOF APP, APBA1, IAPP ALDH1A1 2766/4885NQO2 1394/4885MEN1 268/4885

“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.