SCHEMBL18935952

SCHEMBL18935952

OCCNc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IKBKB O14920 1/20 0.38
UTRN P46939 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
PTPN1 P18031 3/20 0.36
HSPD1 P10809 2/20 0.36
PTPN2 P17706 2/20 0.36
PTPN5 P54829 2/20 0.36
HSPE1 P61604 2/20 0.36
ESR2 Q92731 1/20 0.36
TLR9 Q9NR96 1/20 0.35
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35
ACP1 P24666 1/20 0.35
CETP P11597 3/20 0.35
VSIR Q9H7M9 2/20 0.34

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
SCHEMBL18935870 0.82 ACP1 (0.48) HDAC6PTPN1HSPD1PTPN2PTPN5
SCHEMBL18935928 0.79 TOP2A (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935866 0.78 BCHE (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19474025 0.77 TP53 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935955 0.77 UTRN (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935892 0.76 HDAC1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935902 0.75 IKBKB (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935903 0.75 PTPN1 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935883 0.75 IKBKB (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935893 0.75 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP 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-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND APOB, NPC1, NPC1L1 HDAC3 30/4885HDAC1 25/4885HDAC2 58/4885

“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.