SCHEMBL18935879

SCHEMBL18935879

Nc1ccc(I)c2oc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
NOTUM Q6P988 1/20 0.38
KIF11 P52732 2/20 0.38
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN1 P18031 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
S1PR1 P21453 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL18935938 0.86 IKBKB (0.46) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL18935932 0.84 IKBKB (0.47) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL18935942 0.82 IKBKB (0.45) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL18935915 0.81 IKBKB (0.40) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL19472058 0.80 IKBKB (0.43) IKBKBNOTUMKIF11NPC1KDM4E
SCHEMBL18935920 0.78 IKBKB (0.46) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL18935905 0.77 IKBKB (0.43) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL18935916 0.74 IKBKB (0.48) IKBKBNOTUMKIF11NPC1KDM4E
SCHEMBL18935883 0.73 IKBKB (0.47) IKBKBLMNATHRBNOTUMKIF11
SCHEMBL18935898 0.73 IKBKB (0.41) IKBKBLMNATHRBNOTUMKIF11

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.