SCHEMBL1268313

SCHEMBL1268313

CCC(C(=O)O)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
FFAR1 O14842 1/20 0.43
PDE10A Q9Y233 1/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1268308 1.00 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL17806131 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL1332901 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL27873025 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2KMT2AMEN1FFAR1
SCHEMBL5787453 0.80 ALDH1A1 (0.68) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL5787444 0.80 ALDH1A1 (0.68) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL17806132 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2KMT2AMEN1PDE10A
SCHEMBL29596733 0.79 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1FFAR1NPC1
SCHEMBL4772795 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL7038588 0.78 ALDH1A1 (0.65) ALDH1A1CYP1A2TSHRKMT2AMEN1

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP ALDH1A1 1585/4885CYP1A2 1261/4885TSHR 4679/4885

“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.