SCHEMBL18935938

SCHEMBL18935938

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
PTPN1 P18031 2/20 0.43
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CASP3 P42574 1/20 0.39
NOTUM Q6P988 1/20 0.38
KIF11 P52732 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
S1PR1 P21453 2/20 0.37
NPC1 O15118 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL18935932 0.87 IKBKB (0.47) IKBKBPTPN1LMNATHRBCASP3
SCHEMBL18935879 0.86 IKBKB (0.46) IKBKBPTPN1LMNATHRBNOTUM
SCHEMBL19472058 0.80 IKBKB (0.43) IKBKBNOTUMKIF11NPC1ESR1
SCHEMBL18935917 0.75 IKBKB (0.46) IKBKBPTPN1LMNATHRBCASP3
SCHEMBL18935915 0.75 IKBKB (0.40) IKBKBPTPN1LMNATHRBCASP3
SCHEMBL18935905 0.75 IKBKB (0.43) IKBKBPTPN1LMNATHRBCASP3
SCHEMBL18935916 0.74 IKBKB (0.48) IKBKBPTPN1NOTUMKIF11HDAC3
SCHEMBL18935942 0.74 IKBKB (0.45) IKBKBPTPN1LMNATHRBNOTUM
SCHEMBL22439428 0.74 SCN9A (0.38) PTPN1KIF11NPC1RAB9AKDM4E
SCHEMBL18935913 0.73 IKBKB (0.41) IKBKBPTPN1LMNATHRBCASP3

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 1687/4885PTPN1 3686/4885LMNA 125/4885

“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.