SCHEMBL729697

SCHEMBL729697

B(Oc1nc2ccccc2s1)Oc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.51
PTGS2 P35354 6/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRA2A P08913 1/20 0.47
FBP1 P09467 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
MC5R P33032 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL1272400 0.85 PTGS1 (0.49) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL6736271 0.81 CYP1A2 (0.60) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL6001878 0.79 PTGS1 (0.51) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL347497 0.78 SMN1; SMN2 (0.54) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL20733630 0.78 PTGS1 (0.54) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL13283703 0.78 PTGS1 (0.50) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL11471037 0.76 CYP1A2 (0.73) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL10670085 0.76 SMN1; SMN2 (0.53) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
Hydrogen Sulfide SCHEMBL28224514 0.76 SMN1; SMN2 (0.53) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL10670562 0.76 SMN1; SMN2 (0.53) PTGS1PTGS2CYP1A2CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 US disclosed
EP-4144732-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-03-08 EP disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
EP-2467141-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2018-10-31 EP disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
EP-2678016-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2016-08-10 EP disclosed
US-20150320727-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC 2015-11-12 US disclosed
US-9127000-B2 Heterocyclic compounds and uses thereof Intellikine, LLC. (US) 2015-09-08 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed
EP-1594855-A4 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC (US) 2008-04-16 EP disclosed
EP-1594855-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN, INC. (US) 2005-11-16 EP disclosed
US-6919463-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2005-07-19 US disclosed
WO-2004074810-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC. (US) 2004-09-02 WO disclosed
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC. 2004-09-02 US disclosed
US-20040166539-A1 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. 2004-08-26 US disclosed
US-6100405-A Benzothiazole-containing two-photon chromophores exhibiting strong frequency upconversion THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-08-08 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 (7 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PTGS1 1620/4885PTGS2 1740/4885CYP1A2 1496/4885
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE KRAS, NRAS, HRAS PTGS1 3307/4885PTGS2 3311/4885CYP1A2 634/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PTGS1 1620/4885PTGS2 1740/4885CYP1A2 1496/4885
US-20150320727-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTGS1 1620/4885PTGS2 1740/4885CYP1A2 1496/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PTGS1 1620/4885PTGS2 1740/4885CYP1A2 1496/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PTGS1 1620/4885PTGS2 1740/4885CYP1A2 1496/4885
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LPO, HAO2, HAO1 PTGS1 592/4885PTGS2 721/4885CYP1A2 530/4885

“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.