SCHEMBL18153416

SCHEMBL18153416

Cc1ccc(Nc2cc(N3CCCC3)nc(N3CCNCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.61
CASP4 P49662 1/20 0.61
CASP5 P51878 1/20 0.61
BPTF Q12830 1/20 0.58
GALR2 O43603 8/20 0.55
GALR1 P47211 4/20 0.55
MAPT P10636 3/20 0.54
APAF1 O14727 1/20 0.54
GAA P10253 1/20 0.54
PPP1CA P62136 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
LMNA P02545 2/20 0.53
ROCK2 O75116 2/20 0.53
ALDH1A1 P00352 1/20 0.49
MAP3K12 Q12852 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH1 P35367 1/20 0.45

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
SCHEMBL3246321 0.99 CASP1 (0.59) CASP1CASP4CASP5BPTFGALR2
SCHEMBL3245932 0.91 GALR2 (0.61) GALR2GALR1MAPTAPAF1GAA
SCHEMBL18153355 0.90 LMNA (0.69) CASP1CASP4CASP5BPTFGALR2
SCHEMBL18063516 0.85 LMNA (0.72) BPTFMAPTLMNAROCK2ALDH1A1
SCHEMBL27581797 0.84 CASP1 (0.56) CASP1CASP4CASP5GALR2GALR1
SCHEMBL3240588 0.83 GALR2 (0.59) GALR2GALR1MAPTAPAF1GAA
SCHEMBL18153318 0.83 BPTF (0.65) CASP1CASP4CASP5BPTFMAPT
SCHEMBL18153389 0.82 ROCK2 (0.56) BPTFGALR2MAPTLMNAROCK2
SCHEMBL3240927 0.82 GALR2 (0.77) GALR2GALR1MAPTAPAF1GAA
SCHEMBL18063486 0.81 LMNA (0.54) BPTFGALR2MAPTLMNAROCK2

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 8 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-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 CASP1 3320/4885CASP4 2459/4885CASP5 2810/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS CASP1 3320/4885CASP4 2459/4885CASP5 2810/4885

“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.