SCHEMBL18935883

SCHEMBL18935883

Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 1/20 0.39
PTPN1 P18031 4/20 0.39
PTPN2 P17706 3/20 0.39
PTPN5 P54829 3/20 0.39
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
KIF11 P52732 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38

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) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL18935903 0.83 PTPN1 (0.46) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL18935970 0.80 ESR1 (0.44) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL18935887 0.79 ESR1 (0.41) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL18935866 0.76 BCHE (0.39) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL18935926 0.75 IKBKB (0.42) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL28166725 0.75 ELANE (0.42) BACE1
SCHEMBL18935952 0.75 HDAC3 (0.40) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL18935928 0.75 TOP2A (0.47) IKBKBHDAC3HDAC1HDAC2HDAC8
SCHEMBL19472048 0.74 LMNA (0.43) IKBKBHDAC3HDAC1HDAC2HDAC8

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 IKBKB 1687/4885HDAC3 30/4885HDAC1 25/4885

“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.