SCHEMBL18153390

SCHEMBL18153390

COc1cc(Nc2ccc(C)cc2)nc(N2CCNCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.54
GALR2 O43603 5/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
BPTF Q12830 1/20 0.52
MAPK1 P28482 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
GALR1 P47211 3/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ROCK1 Q13464 3/20 0.45
SRC P12931 1/20 0.45
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL18063516 0.85 LMNA (0.72) ROCK2LMNAMAPTBPTFMAPK1
SCHEMBL18153389 0.82 ROCK2 (0.56) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18063486 0.81 LMNA (0.54) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18162511 0.81 LMNA (0.53) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18153416 0.81 CASP1 (0.61) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18087215 0.81 LMNA (0.53) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18063508 0.81 LMNA (0.53) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL3246321 0.80 CASP1 (0.59) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18063489 0.80 LMNA (0.52) ROCK2GALR2LMNAMAPTBPTF
SCHEMBL18063499 0.79 MAPT (0.51) ROCK2GALR2LMNAMAPTBPTF

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 7 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
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
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 (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 ROCK2 2833/4885GALR2 3809/4885LMNA 3744/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS ROCK2 2833/4885GALR2 3809/4885LMNA 3744/4885

“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.