SCHEMBL18935867

SCHEMBL18935867

FC(F)(F)c1ccc(-c2nc3c(CBr)cccc3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.42
PTPN2 P17706 4/20 0.42
PTPN5 P54829 4/20 0.42
HSPD1 P10809 3/20 0.42
HSPE1 P61604 3/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
IKBKB O14920 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
UTRN P46939 2/20 0.38
P2RY14 Q15391 1/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3920348 0.86 HSPD1 (0.42) PTPN1PTPN2PTPN5HSPD1HSPE1
SCHEMBL18935869 0.86 NPC1 (0.46) PTPN1PTPN2PTPN5HSPD1HSPE1
SCHEMBL10852711 0.83 SMN1; SMN2 (0.46) UTRNNPC1KDM4EHPGDSMN1; SMN2
SCHEMBL4584082 0.82 ADA (0.47) PTPN1PTPN2PTPN5HSPD1HSPE1
SCHEMBL18935916 0.79 IKBKB (0.48) PTPN1PTPN2PTPN5HSPD1HSPE1
SCHEMBL18935933 0.79 TNKS (0.47) PTPN1PTPN2PTPN5HSPD1HSPE1
SCHEMBL18935909 0.78 MEN1 (0.42) PTPN1PTPN2PTPN5HSPD1HSPE1
SCHEMBL3919567 0.77 IKBKB (0.39) PTPN1IKBKBSIRT2NPC1KDM4E
SCHEMBL28166736 0.77 ELANE (0.40)
SCHEMBL18935910 0.75 MEN1 (0.49) PTPN1PTPN2PTPN5HSPD1HSPE1

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 PTPN1 3686/4885PTPN2 4168/4885PTPN5 3845/4885

“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.