SCHEMBL18153392

SCHEMBL18153392

Cc1ccc(Nc2cc(N3CCN(C(=O)OCc4ccccc4)CC3)nc(N3CCNCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.48
KDR P35968 4/20 0.48
FLT3 P36888 4/20 0.48
FLT1 P17948 3/20 0.48
SLC29A1 Q99808 1/20 0.47
GBA1 P04062 1/20 0.47
GALR2 O43603 1/20 0.46
GALR1 P47211 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
BPTF Q12830 2/20 0.42
APAF1 O14727 2/20 0.42
MAPT P10636 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
GAA P10253 1/20 0.42
PPP1CA P62136 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18153351 0.89 ACHE (0.52) GBA1GALR2GALR1MEN1KMT2A
SCHEMBL18153417 0.83 GALR2 (0.51) AURKAGALR2GALR1KMT2AGAA
SCHEMBL18153416 0.77 CASP1 (0.61) GALR2GALR1BPTFAPAF1MAPT
SCHEMBL3246321 0.76 CASP1 (0.59) GALR2GALR1BPTFAPAF1MAPT
SCHEMBL18153311 0.76 MAPT (0.58) GBA1GALR2GALR1BPTFAPAF1
SCHEMBL18162424 0.75 GALR2 (0.55) GBA1GALR2GALR1BPTFAPAF1
SCHEMBL18153355 0.75 LMNA (0.69) GALR2GALR1MEN1KMT2ABPTF
SCHEMBL18153367 0.74 GALR2 (0.55) GBA1GALR2GALR1BPTFAPAF1
SCHEMBL23197967 0.73 DPP4 (0.48) GBA1GALR2GALR1MAPTJAK2
SCHEMBL18153343 0.73 LMNA (0.57) GBA1GALR2GALR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO 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 (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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS AURKA 3743/4885KDR 4762/4885FLT3 4094/4885

“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.