SCHEMBL7696513

SCHEMBL7696513

Cc1nn(-c2nnc(N=Nc3nnc(-n4nc(C)c(Br)c4C)nn3)nn2)c(C)c1Br

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 3/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
MDM2 Q00987 1/20 0.49

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
SCHEMBL20626748 0.93 MAPT (0.46) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL19902239 0.78 ALDH1A1 (0.43) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL31755975 0.62 SMN1; SMN2 (0.61) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL17476716 0.61 MAPT (0.38) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL4134576 0.56 HTT (0.53) MAPTALDH1A1HTTMAPK1LMNA
SCHEMBL13177328 0.55 APAF1 (0.50) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL29951525 0.54 APAF1 (0.49) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL30078644 0.53 NPSR1 (0.39) ALDH1A1HTTMAPK1LMNA
SCHEMBL31488029 0.52 ALDH1A1 (0.37) MAPTALDH1A1HTTHPGDMAPK1
SCHEMBL28621813 0.52 HTT (0.33) ALDH1A1HTTMAPK1LMNA

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
US-10174064-B2 Photoactive energetic materials TRIAD NATIONAL SECURITY, LLC (US) 2019-01-08 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-6342589-B1 REACTING 3,6-BIS(3,5-DIMETHYLPYRAZOL-1-YL)-1,2,4,5-TETRAZINE WITH HYDRAZINE; FURTHER REACTING WITH N-BROMOSUCCINIMIDE IN ACETONITRILE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY 2002-01-29 US 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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 MAPT 1579/4885ALDH1A1 706/4885HTT 1534/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 MAPT 1579/4885ALDH1A1 706/4885HTT 1534/4885

“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.