SCHEMBL18153389

SCHEMBL18153389

Cc1ccc(Nc2cc(Cl)nc(N3CCNCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
BPTF Q12830 1/20 0.54
ROCK1 Q13464 3/20 0.47
SRC P12931 2/20 0.46
GALR2 O43603 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 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 0.87 LMNA (0.72) ROCK2MAPTLMNABPTFROCK1
SCHEMBL17673690 0.85 MAPT (0.77) MAPTLMNAPOLBKMT2ANPSR1
SCHEMBL18063486 0.84 LMNA (0.54) ROCK2MAPTLMNABPTFROCK1
SCHEMBL18063508 0.82 LMNA (0.53) ROCK2MAPTLMNABPTFROCK1
SCHEMBL18153416 0.82 CASP1 (0.61) ROCK2MAPTLMNABPTFROCK1
SCHEMBL18087215 0.82 LMNA (0.53) ROCK2MAPTLMNABPTFROCK1
SCHEMBL18162511 0.82 LMNA (0.53) ROCK2MAPTLMNABPTFROCK1
SCHEMBL18153390 0.82 ROCK2 (0.54) ROCK2MAPTLMNABPTFROCK1
SCHEMBL18063489 0.81 LMNA (0.52) ROCK2MAPTLMNABPTFROCK1
SCHEMBL3246321 0.81 CASP1 (0.59) ROCK2MAPTLMNABPTFGALR2

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 2833/4885MAPT 4486/4885LMNA 3744/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS ROCK2 2833/4885MAPT 4486/4885LMNA 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.