SCHEMBL18935903

SCHEMBL18935903

FC(F)(F)c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ESR2 Q92731 4/20 0.41
ESR1 P03372 3/20 0.41
IKBKB O14920 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CASP3 P42574 1/20 0.39
NOTUM Q6P988 1/20 0.39
HSPD1 P10809 2/20 0.39
PTPN2 P17706 2/20 0.39
PTPN5 P54829 2/20 0.39
HSPE1 P61604 2/20 0.39
S1PR1 P21453 1/20 0.38
TLR9 Q9NR96 1/20 0.38
UTRN P46939 1/20 0.37

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
SCHEMBL18935902 0.83 IKBKB (0.41) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18935883 0.83 IKBKB (0.47) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18935970 0.80 ESR1 (0.44) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18935887 0.79 ESR1 (0.41) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18935866 0.76 BCHE (0.39) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18935926 0.75 IKBKB (0.42) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL14409224 0.75 ESR2 (0.74) PTPN1HDAC6ESR2ESR1
SCHEMBL18935928 0.75 TOP2A (0.47) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL18935952 0.75 HDAC3 (0.40) PTPN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL19472048 0.74 LMNA (0.43) PTPN1HDAC6HDAC3HDAC1HDAC2

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 4 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
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 PTPN1 3686/4885HDAC6 436/4885HDAC3 30/4885

“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.