SCHEMBL2296790

SCHEMBL2296790

COc1ccc2c3c([nH]c2c1)-c1cc(F)ccc1C3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.68
CA2 P00918 7/20 0.68
CA4 P22748 7/20 0.68
CA6 P23280 7/20 0.68
PARP1 P09874 2/20 0.54
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 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
SCHEMBL12382617 0.83 CA1 (0.58) CA1CA2CA4CA6PARP1
SCHEMBL2294178 0.83 CA1 (0.73) CA1CA2CA4CA6MAPK10
SCHEMBL2300747 0.81 CA1 (1.00) CA1CA2CA4CA6KDM4E
SCHEMBL2296063 0.79 CA1 (0.83) CA1CA2CA4CA6PARP1
SCHEMBL2299152 0.75 CA1 (0.71) CA1CA2CA4CA6PARP1
SCHEMBL897959 0.75 CA1 (0.43) CA1CA2CA4CA6MAPK10
SCHEMBL7254385 0.74 ALDH1A1 (0.57) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL12422155 0.72 CA1 (0.52) CA1CA2CA4CA6PARP1
SCHEMBL8946305 0.72 CA1 (0.73) CA1CA2CA4CA6MAPK10
SCHEMBL2292309 0.71 MAOA (0.47) CA1CA2CA4CA6KDM4E

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 CA1 517/4885CA2 1721/4885CA4 1033/4885

“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.