SCHEMBL600517

SCHEMBL600517

O=C1C=C(c2ccsc2)C(=O)N1c1ccsc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2B6 P20813 1/20 0.33
GLO1 Q04760 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
PTPRC P08575 1/20 0.31
ALOX5 P09917 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL28090496 0.70 MGLL (0.54) PKM
SCHEMBL17047745 0.67 PARP1 (0.40) HCAR1NPC1MAPTPKMRAB9A
SCHEMBL8980795 0.66 KMT2A (0.50) RAB9A
SCHEMBL6337999 0.65 FAAH (0.53) PTPRCNPC1MAPTRAB9A
SCHEMBL1471136 0.63 MGLL (0.47) MAPTPKM
SCHEMBL1471314 0.63 MEN1 (0.54) NPC1MAPTRAB9A
SCHEMBL21478341 0.63 MEN1 (0.38) HCAR1NPC1MAPTPKMRAB9A
SCHEMBL1471161 0.61 MAPT (0.50) PTPRCALOX5NPC1MAPTRAB9A
SCHEMBL15731559 0.61 CYP2A6 (0.42) CYP2A6CYP2E1CYP2B6PTPRC
SCHEMBL1471536 0.60 RGS4 (0.57) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220526-A1 COMPOSITIONS AND METHODS FOR MODULATING DOPAMINE RECEPTOR ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 WO disclosed
US-20230173090-A1 COMPOSITIONS AND METHODS FOR MODULATING DOPAMINE RECEPTOR ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-08 US disclosed
WO-2023097186-A1 COMPOSITIONS AND METHODS FOR ENHANCING VISUAL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-01 WO disclosed
EP-4172187-A1 COMPOSITIONS AND METHODS FOR MODULATING DOPAMINE RECEPTOR ACTIVITY The Regents of the University of California (US) 2023-05-03 EP disclosed
EP-4158002-A1 COMPOSITIONS AND METHODS FOR ENHANCING VISUAL FUNCTION The Regents of the University of California (US) 2023-04-05 EP disclosed
WO-2022006071-A1 COMPOSITIONS AND METHODS FOR MODULATING DOPAMINE RECEPTOR ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-06 WO disclosed
WO-2021243086-A1 COMPOSITIONS AND METHODS FOR ENHANCING VISUAL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-02 WO disclosed
US-20210369744-A1 COMPOSITIONS AND METHODS FOR ENHANCING VISUAL FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20200308539-A1 AFFINITY-TAGGED PHOTOSWITCHES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-01 US disclosed
EP-3684787-A1 AFFINITY-TAGGED PHOTOSWITCHES AND METHODS OF USE THEREOF The Regents of The University of California (US) 2020-07-29 EP disclosed
US-8309350-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-13 US disclosed
US-20120190094-A1 Photoreactive Regulator of Protein Function and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-07-26 US disclosed
US-8178496-B2 Photoreactive regulator of glutamate receptor function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-15 US disclosed
US-8114843-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-14 US disclosed
US-20110207213-A1 Photoreactive Synthetic Regulator of Protein Function and Methods of Use Thereof ENERGY, UNITED STATES DEPARTMENT OF 2011-08-25 US disclosed
US-20100330607-A1 PHOTOSWITCH-ENABLED ION CHANNEL ASSAY SYSTEM PHOTOSWITCH BIOSCIENCES, INC. (US) 2010-12-30 US disclosed
WO-2010151609-A1 PHOTOSWITCH-ENABLED ION CHANNEL ASSAY SYSTEM PHOTOSWITCH BIOSCIENCES INC. (US) 2010-12-29 WO disclosed
WO-2010051343-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-06 WO disclosed
US-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF ENERGY, UNITED STATE DEPARTMENT OF 2009-07-16 US disclosed
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-06-07 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 (6 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-20210369744-A1 COMPOSITIONS AND METHODS FOR ENHANCING VISUAL FUNCTION PDE6C, UACA, EPHA2 CYP2A6 4645/4885CYP2E1 4878/4885CYP2B6 4649/4885
US-20090181454-A1 PHOTOREACTIVE REGULATOR OF GLUTAMATE RECEPTOR FUNCTION AND METHODS OF USE THEREOF GRM2, GRM1, GRM3 CYP2A6 4490/4885CYP2E1 4838/4885CYP2B6 4669/4885
US-20200308539-A1 AFFINITY-TAGGED PHOTOSWITCHES AND METHODS OF USE THEREOF CD2BP2, AGBL2, CLTB CYP2A6 4500/4885CYP2E1 4860/4885CYP2B6 4683/4885
US-20230173090-A1 COMPOSITIONS AND METHODS FOR MODULATING DOPAMINE RECEPTOR ACTIVITY PARK7, PRLHR, SNCA CYP2A6 4712/4885CYP2E1 4835/4885CYP2B6 4794/4885
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof PPP1R10, PPP6R3, ANKRD52 CYP2A6 4534/4885CYP2E1 4863/4885CYP2B6 4828/4885
US-20110207213-A1 Photoreactive Synthetic Regulator of Protein Function and Methods of Use Thereof PPP1R10, PPP6R1, PPP6R3 CYP2A6 4626/4885CYP2E1 4863/4885CYP2B6 4823/4885

“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.