SCHEMBL2286201

SCHEMBL2286201

CCC(=O)Nc1ccc(/N=N/c2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 13/20 0.51
GAA P10253 2/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 6/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 11/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 7/20 0.50
HPGD P15428 3/20 0.49
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 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
SCHEMBL2286199 1.00 CA12 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL2643318 0.89 CA12 (0.62) CA12CA1CA2CA9MAPT
SCHEMBL2281399 0.87 TP53 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL2281394 0.87 TP53 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL10120120 0.85 MAPT (0.53) CA1CA2MAPTMEN1KMT2A
SCHEMBL5962552 0.81 CA12 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL18780317 0.81 MAPT (0.50) CA12CA1CA2CA9MAPT
SCHEMBL19272359 0.81 MAPT (0.71) CA12CA1CA2CA9MAPT
SCHEMBL2281480 0.81 MAPT (0.71) CA12CA1CA2CA9MAPT
SCHEMBL2281478 0.81 MAPT (0.71) CA12CA1CA2CA9MAPT

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-9688617-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-27 US disclosed
US-20160229794-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-08-11 US disclosed
US-9334231-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-10 US disclosed
US-20150158811-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
US-8993736-B2 Photoreactive synthetic regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-31 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150158811-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF PPP1R10, PPP6R1, PPP6R3 CA12 3811/4885CA1 4262/4885CA2 3960/4885
US-20160229794-A1 PHOTOREACTIVE SYNTHETIC REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF PPP1R10, PPP6R1, PPP6R3 CA12 3811/4885CA1 4262/4885CA2 3960/4885
US-20110207213-A1 Photoreactive Synthetic Regulator of Protein Function and Methods of Use Thereof PPP1R10, PPP6R1, PPP6R3 CA12 3811/4885CA1 4262/4885CA2 3960/4885

“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.