SCHEMBL18935869

SCHEMBL18935869

NCc1cccc2oc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
PTPN2 P17706 4/20 0.42
PTPN1 P18031 4/20 0.42
PTPN5 P54829 4/20 0.42
HSPD1 P10809 3/20 0.42
HSPE1 P61604 3/20 0.42
IKBKB O14920 1/20 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
UTRN P46939 2/20 0.38
P2RY14 Q15391 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
SCHEMBL18935867 0.86 PTPN1 (0.42) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL3920348 0.86 HSPD1 (0.42) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL18935916 0.82 IKBKB (0.48) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL18935933 0.79 TNKS (0.47) NPC1KDM4EHPGDSMN1; SMN2PTPN2
SCHEMBL18935909 0.78 MEN1 (0.42) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL30680478 0.75 NPC1 (0.58) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL18935910 0.75 MEN1 (0.49) NPC1SMN1; SMN2ALDH1A1PTPN2PTPN1
SCHEMBL18935914 0.72 UTRN (0.47) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL4157253 0.72 PTPN2 (0.68) NPC1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL18935930 0.71 IKBKB (0.46) NPC1HPGDSMN1; SMN2ALDH1A1PTPN2

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 5 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
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 NPC1 2/4885KDM4E 3780/4885HPGD 2202/4885

“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.