SCHEMBL19742286

SCHEMBL19742286

CN(C(=O)O)c1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(C(F)(F)F)c2s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 3/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ HDAC4 P56524 4/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC6A7 Q99884 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FASN P49327 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33

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
SCHEMBL19742272 0.89 GABRA5 (0.37) —
SCHEMBL17844683 0.85 PAK4 (0.41) LIPCSLC6A7FASN
SCHEMBL17859309 0.81 LIPC (0.41) LIPCERN1HDAC4MGLLSLC6A7
SCHEMBL19742285 0.80 LIPC (0.41) LIPCERN1MGLLSLC6A7FASN
SCHEMBL19066854 0.77 ERN1 (0.41) ERN1HDAC4MGLLRAD52UBE2N
SCHEMBL17859305 0.76 LIPC (0.40) LIPCERN1HDAC4
SCHEMBL17844714 0.75 GABRA5 (0.38) —
SCHEMBL17844709 0.73 PDE5A (0.37) LIPCFASNJAK2JAK1JAK3
SCHEMBL19753612 0.71 LIPC (0.43) LIPCSLC6A7MAPTFASNJAK2
SCHEMBL17844708 0.71 PAK4 (0.42) LIPCSLC6A7FASNJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — 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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 LIPC 3882/4885ERN1 1546/4885HDAC4 386/4885

“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.

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