SCHEMBL18162467

SCHEMBL18162467

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nc(Nc3ccc(F)cc3)cc(C(F)(F)F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.50
SCN9A Q15858 2/20 0.47
GBA1 P04062 1/20 0.47
GALR2 O43603 1/20 0.46
GALR1 P47211 1/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
EPHX1 P07099 2/20 0.44
HSD11B1 P28845 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44

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
SCHEMBL18162490 0.96 KMT2A (0.57) KMT2APKMSCN9AGBA1GALR2
SCHEMBL20043271 0.95 GBA1 (0.45) KMT2APKMSCN9AGBA1GALR2
SCHEMBL18162545 0.92 KMT2A (0.58) KMT2APKMMAPTRXFP1HSD11B1
SCHEMBL20042181 0.90 PKM (0.62) KMT2APKMSCN9AGBA1GALR2
SCHEMBL18162461 0.89 GPR6 (0.49) KMT2ASCN9AGBA1GALR2GALR1
SCHEMBL18153376 0.89 PKM (0.47) KMT2APKMSCN9AGBA1MAPT
SCHEMBL18162555 0.89 KMT2A (0.54) KMT2APKMGBA1MAPTRXFP1
SCHEMBL18162456 0.88 NPC1 (0.53) KMT2APKMGBA1MAPTKDM4E
SCHEMBL18153339 0.88 KMT2A (0.53) KMT2APKMMAPTRXFP1HSD11B1
SCHEMBL18162468 0.88 PKM (0.58) KMT2APKMGBA1MAPTRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO 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 (2 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS KMT2A 4450/4885PKM 4360/4885SCN9A 4712/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS KMT2A 4450/4885PKM 4360/4885SCN9A 4712/4885

“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.