SCHEMBL17625650

SCHEMBL17625650

O=C(Cc1ccc(C2(C(F)(F)F)NN2)cc1)Cc1ccc(C2(C(F)(F)F)NN2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
PIK3CA P42336 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PTPRZ1 P23471 1/20 0.31
CA2 P00918 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
ORAI1 Q96D31 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17484415 0.88 CA2 (0.46) CES1RXRARXRBRXRGCA2
SCHEMBL13573443 0.79 PDK2 (0.37) CA2
SCHEMBL17625655 0.79 YWHAG (0.44) CA2TDP1L3MBTL1
SCHEMBL17625658 0.77 KMT2A (0.49) L3MBTL1
SCHEMBL24623569 0.76 KMT2A (0.49) HDAC1HDAC8
SCHEMBL16385087 0.76 KMT2A (0.34)
SCHEMBL20763906 0.76 PDK2 (0.36) CA2TDP1L3MBTL1
SCHEMBL24209554 0.76 LOXL2 (0.41) CA2
SCHEMBL17600535 0.75 KIF11 (0.49) CES1RXRARXRBRXRGORAI1
SCHEMBL17625649 0.74 KMT2A (0.54) CA2TDP1

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-10693072-B2 Diazirine containing organic electronic compositions and device thereof PROMERUS, LLC (US) 2020-06-23 US disclosed
US-10303060-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2019-05-28 US disclosed
US-20190157558-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2019-05-23 US disclosed
US-10256409-B2 Diazirine containing organic electronic compositions and device thereof PROMERUS, LLC (US) 2019-04-09 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US disclosed
US-20170279048-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2017-09-28 US disclosed
US-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 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 (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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 CES1 1674/4885RXRA 30/4885RXRB 71/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX CES1 3783/4885RXRA 192/4885RXRB 316/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX CES1 3783/4885RXRA 192/4885RXRB 316/4885

“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.