SCHEMBL2807539

SCHEMBL2807539

Cc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
SCD O00767 7/20 0.38
BDKRB1 P46663 2/20 0.38
HDAC1 Q13547 1/20 0.38
AURKA O14965 1/20 0.37
PTK2 Q05397 2/20 0.36
CNR1 P21554 1/20 0.35
VNN1 O95497 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL2807536 1.00 MYC (0.39) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2809623 0.92 BDKRB1 (0.39) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2809400 0.91 HDAC1 (0.41) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2808825 0.91 MYC (0.39) MYCMAXSCDBDKRB1AURKA
SCHEMBL2809397 0.91 HDAC1 (0.41) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2808827 0.91 MYC (0.39) MYCMAXSCDBDKRB1AURKA
SCHEMBL2808644 0.91 HDAC1 (0.42) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2808646 0.91 HDAC1 (0.42) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2804848 0.90 BDKRB1 (0.38) MYCMAXSCDBDKRB1HDAC1
SCHEMBL2812065 0.89 HDAC3 (0.38) SCDBDKRB1HDAC1AURKAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MYC 4605/4885MAX 3525/4885SCD 4859/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MYC 4605/4885MAX 3525/4885SCD 4859/4885

“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.