SCHEMBL19902273

SCHEMBL19902273

Cc1cc(C)n(-c2nnc(OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])nn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 7/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 5/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17482190 0.94 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL19902276 0.79 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL19902274 0.77 ALDH1A1 (0.64) ALDH1A1
SCHEMBL19902275 0.72 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL17482174 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL19902246 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL19902438 0.70 ALDH1A1 (0.53) ALDH1A1
SCHEMBL19902240 0.70 ALDH1A1 (0.39) MAPTALDH1A1GAARECQLKMT2A
SCHEMBL17482187 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3712068 0.69 RAB9A (0.67) SMN1; SMN2RAB9ANPC1MAPTALDH1A1

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-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

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-10174064-B2 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.