SCHEMBL18935913

SCHEMBL18935913

FC(F)(F)c1ccc(-c2nc3c(C(F)(F)F)ccc(Cl)c3o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
NOTUM Q6P988 7/20 0.39
CASP3 P42574 2/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
XBP1 P17861 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 3/20 0.37
NPC1 O15118 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL18935932 0.86 IKBKB (0.47) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935915 0.84 IKBKB (0.40) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935917 0.79 IKBKB (0.46) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935876 0.77 HDAC3 (0.43) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935895 0.77 IKBKB (0.41) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935905 0.76 IKBKB (0.43) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935902 0.74 IKBKB (0.41) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935901 0.74 HDAC3 (0.43) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935930 0.73 IKBKB (0.46) IKBKBLMNATHRBNOTUMCASP3
SCHEMBL18935938 0.73 IKBKB (0.46) IKBKBLMNATHRBNOTUMCASP3

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 1687/4885LMNA 125/4885THRB 3563/4885

“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.