SCHEMBL20150166

SCHEMBL20150166

COc1cc(-c2nc(C)nn2C)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
CHEK1 O14757 4/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
TYK2 P29597 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TDP2 O95551 1/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
GFER P55789 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15507848 0.79 ALDH1A1 (0.49) SIRT6ALDH1A1LMNACHEK1TDP1
SCHEMBL11224598 0.78 CHEK1 (0.61) SIRT6ALDH1A1LMNACHEK1PDGFRB
SCHEMBL22418960 0.76 ALDH1A1 (0.49) SIRT6ALDH1A1LMNACHEK1TDP1
SCHEMBL29212300 0.76 CHEK1 (0.46) SIRT6ALDH1A1LMNACHEK1PDGFRB
SCHEMBL30184489 0.76 CHEK1 (0.46) SIRT6ALDH1A1LMNACHEK1PDGFRB
SCHEMBL20091865 0.76 ALDH1A1 (0.56) ALDH1A1CHEK1TYK2TDP1TDP2
SCHEMBL26120526 0.76 SIRT6 (0.48) SIRT6ALDH1A1LMNACHEK1TDP1
SCHEMBL29740042 0.76 SIRT6 (0.48) SIRT6ALDH1A1LMNACHEK1TDP1
SCHEMBL20150168 0.74 TYK2 (0.41) ALDH1A1TYK2SMN1; SMN2MAPTHTT
SCHEMBL19031189 0.74 SIRT6 (0.46) SIRT6ALDH1A1LMNACHEK1PDGFRB

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SIRT6 1431/4885ALDH1A1 4827/4885LMNA 2078/4885

“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.