SCHEMBL18935959

SCHEMBL18935959

Fc1c(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PTPN1 P18031 4/20 0.40
PTPN2 P17706 3/20 0.40
PTPN5 P54829 3/20 0.40
HSPD1 P10809 2/20 0.40
HSPE1 P61604 2/20 0.40
IKBKB O14920 1/20 0.39
UTRN P46939 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CETP P11597 4/20 0.38
CASP3 P42574 2/20 0.38
NOTUM Q6P988 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARG P37231 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
SCHEMBL18935884 0.82 HDAC6 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19472057 0.78 CETP (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935895 0.78 IKBKB (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19472053 0.77 LMNA (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935889 0.77 IKBKB (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935902 0.75 IKBKB (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1025681 0.74 NPC1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935894 0.74 ESR1 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935886 0.74 ESR1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18935926 0.73 IKBKB (0.42) 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 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 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.