SCHEMBL14468616

SCHEMBL14468616

CCOC(=O)c1cnc(CI)c([N+](=O)[O-])c1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSP90AA1 P07900 1/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
DPP4 P27487 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL14543449 0.85 ALDH1A1 (0.46) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL31733261 0.84 ALDH1A1 (0.49) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL4497497 0.82 ALDH1A1 (0.47) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL14468617 0.75 ALDH1A1 (0.46) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL11453634 0.73 MAPT (0.49) ALDH1A1HSP90AA1MAPTNPC1KMT2A
SCHEMBL4492478 0.73 SMN1; SMN2 (0.45) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL1894132 0.72 ALDH1A1 (0.50) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL987100 0.72 ALDH1A1 (0.50) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL14609680 0.72 KMT2A (0.49) ALDH1A1HSP90AA1MAPTNPC1RAB9A
SCHEMBL574989 0.71 ALDH1A1 (0.49) ALDH1A1HSP90AA1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA ALDH1A1 3037/4885HSP90AA1 462/4885MAPT 3631/4885

“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.