SCHEMBL10120119

SCHEMBL10120119

CC(C)(C)OC(=O)NCC(=O)Nc1ccc(/N=N/c2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
AURKB Q96GD4 3/20 0.43
EGFR P00533 2/20 0.43
RAF1 P04049 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAP2K1 Q02750 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 8/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10120137 0.98 CA1 (0.45) CA1CA2AURKBEGFRRAF1
SCHEMBL8693590 0.85 CA1 (0.54) CA1CA2AURKBEGFRRAF1
SCHEMBL10850707 0.80 CA1 (0.50) CA1CA2AURKBEGFRRAF1
SCHEMBL10845806 0.80 POLB (0.53) CA1CA2AURKBEGFRRAF1
SCHEMBL14679376 0.80 POLB (0.54) CA1CA2AURKBEGFRRAF1
SCHEMBL24414110 0.79 L3MBTL1 (0.48) CA1CA2HDAC1MAPTRAB9A
SCHEMBL7955826 0.79 CA1 (0.50) CA1CA2AURKBEGFRRAF1
SCHEMBL26837339 0.79 SMN1; SMN2 (0.55) CA1CA2AURKBEGFRRAF1
SCHEMBL10120136 0.79 TERT (0.52) CA1CA2MAPTRAB9AMEN1
SCHEMBL400342 0.79 CA1 (0.49) CA1CA2AURKBEGFRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9629911-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 US disclosed
US-20150224193-A1 PHOTOREACTIVE REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-13 US disclosed
US-9097707-B2 Photoreactive regulator of protein function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20130137113-A1 Photoreactive Regulator of Protein Function and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-30 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-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 (2 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-20150224193-A1 PHOTOREACTIVE REGULATOR OF PROTEIN FUNCTION AND METHODS OF USE THEREOF PPP1R10, PPP6R3, ANKRD52 CA1 4423/4885CA2 3857/4885AURKB 4507/4885
US-20070128662-A1 Photoreactive regulator of protein function and methods of use thereof PPP1R10, PPP6R3, ANKRD52 CA1 4423/4885CA2 3857/4885AURKB 4507/4885

“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.