SCHEMBL17482177

SCHEMBL17482177

Cc1cc(C)n(-c2nc(N=Nc3nc(-n4nc(C)cc4C)nc(-n4nc(C)cc4C)n3)nc(-n3nc(C)cc3C)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALOX15 P16050 5/20 0.53
POLB P06746 2/20 0.53
USP2 O75604 1/20 0.53
PTPN7 P35236 1/20 0.53
CREBBP Q92793 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
LMNA P02545 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NTSR1 P30989 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51

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
SCHEMBL4138642 0.88 HTT (0.68) HTTALOX15POLBUSP2PTPN7
SCHEMBL948912 0.80 HTT (0.59) HTTALOX15POLBUSP2PTPN7
SCHEMBL946948 0.79 HTT (0.75) HTTALOX15POLBUSP2PTPN7
Hydrochloric Acid SCHEMBL946927 0.78 HTT (0.72) HTTALOX15POLBUSP2PTPN7
SCHEMBL27930399 0.76 HTT (0.59) HTTALOX15POLBUSP2PTPN7
SCHEMBL3712068 0.74 RAB9A (0.67) HTTALOX15POLBUSP2PTPN7
SCHEMBL21144202 0.74 HTT (0.68) HTTALOX15POLBUSP2PTPN7
SCHEMBL12767148 0.74 HTT (0.83) HTTALOX15POLBUSP2PTPN7
SCHEMBL1936057 0.74 HTT (0.86) HTTALOX15POLBUSP2PTPN7
SCHEMBL11186961 0.73 HTT (0.66) HTTALOX15POLBSMN1; SMN2KMT2A

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 4 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

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 HTT 1534/4885ALOX15 1516/4885POLB 1370/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 HTT 1534/4885ALOX15 1516/4885POLB 1370/4885

“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.