SCHEMBL2292309

SCHEMBL2292309

COc1ccc2c3c(n(C)c2c1)-c1cc(F)ccc1C3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
HTR5A P47898 1/20 0.38
ACHE P22303 1/20 0.38
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
DRD3 P35462 2/20 0.37
DYRK1A Q13627 1/20 0.37
HTR6 P50406 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
NTRK1 P04629 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2298320 0.83 MAOA (0.50) MAOACA1CA2CA4CA6
SCHEMBL12382619 0.83 HTR2A (0.37) ACHEHTR2AHTR2CKDM4EALDH1A1
SCHEMBL2296035 0.81 CA1 (0.53) MAOACA1CA2CA4CA6
SCHEMBL2299111 0.80 PARP1 (0.46) MAOACA1CA2CA4CA6
SCHEMBL2295376 0.78 ATM (0.46) CA1CA2CA4CA6ACHE
SCHEMBL12422200 0.76 MAOA (0.36) MAOACA1CA2CA4CA6
SCHEMBL17697978 0.73 DRD2 (0.56) CA1CA2CA4CA6ACHE
SCHEMBL2296790 0.71 CA1 (0.68) MAOACA1CA2CA4CA6
SCHEMBL2295960 0.69 MAOA (0.37) MAOAHTR5ADYRK1AHTR6HTR2A
SCHEMBL12422981 0.69 MAOA (0.37) MAOAHTR5ADYRK1AHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703936-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-22 US disclosed
US-8703936-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-22 US disclosed
US-20140045207-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-20140045207-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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 (1 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 MAOA 1070/4885CA1 517/4885CA2 1721/4885

“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.