SCHEMBL104403

SCHEMBL104403

CC(=O)c1onc(-c2ccc(C)cc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPRT1 P00492 1/20 0.38
IKBKB O14920 1/20 0.38
LMNA P02545 3/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR4 O95977 1/20 0.37
ADRB2 P07550 1/20 0.37
S1PR1 P21453 1/20 0.37
NOD2 Q9HC29 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL104401 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL13316478 0.87 ABCB1 (0.46) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL27778831 0.75 ABCB1 (0.48) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL105960 0.73 CACNA1F (0.50) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL3608887 0.72 PTGS1 (0.53) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL1753170 0.72 CACNA1F (0.48) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL1244895 0.71 PTGS2 (0.46) ALDH1A1MAPT
SCHEMBL105146 0.67 IKBKB (0.48) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL11524634 0.65 KMT2A (0.59) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL28185543 0.65 TSHR (0.42) ALDH1A1MAPTRAB9ANPC1NPSR1

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 ALDH1A1 3128/4885KMT2A 2603/4885MAPT 4685/4885

“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.