SCHEMBL17482192

SCHEMBL17482192

CCC(CC)(CC)Nc1nnc(-n2nc(C)cc2C)nn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 3/20 0.70
HTT P42858 7/20 0.52
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MAPK1 P28482 4/20 0.52
ALOX15 P16050 4/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
NPSR1 Q6W5P4 4/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PTPN7 P35236 1/20 0.41
CREBBP Q92793 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7694906 0.79 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL19902276 0.78 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL3712068 0.78 RAB9A (0.67) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL27926814 0.76 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL17468789 0.73 RAB9A (0.61) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL17482180 0.70 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL3780684 0.70 HTT (0.61) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL31655490 0.68 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL3661523 0.68 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL17482210 0.67 NPSR1 (0.36) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 SMN1; SMN2 4635/4885RAB9A 4208/4885NPC1 2726/4885

“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.