SCHEMBL7601229

SCHEMBL7601229

COC(=O)C(C)C(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
SLC6A3 Q01959 1/20 0.47
GAA P10253 3/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7601233 0.83 NPC1 (0.48) NPC1GAAKMT2AMAPTMEN1
SCHEMBL1345244 0.81 KMT2A (0.56) SLC6A3GAAKMT2AMAPTMEN1
SCHEMBL1345434 0.81 KMT2A (0.56) SLC6A3GAAKMT2AMAPTMEN1
SCHEMBL427393 0.81 KMT2A (0.56) SLC6A3GAAKMT2AMAPTMEN1
SCHEMBL2874789 0.79 SLC6A3 (0.52) NPC1SLC6A3GAAKMT2AMAPT
SCHEMBL3529478 0.79 SLC6A3 (0.56) NPC1SLC6A3GAAKMT2AMAPT
SCHEMBL9309607 0.78 SLC6A3 (0.49) NPC1SLC6A3GAAKMT2AMAPT
SCHEMBL22838115 0.78 SLC6A3 (0.49) NPC1SLC6A3GAAKMT2AMAPT
SCHEMBL8593569 0.78 MEN1 (0.59) NPC1SLC6A3GAAKMT2AMAPT
SCHEMBL2614715 0.78 MEN1 (0.59) NPC1SLC6A3GAAKMT2AMAPT

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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 NPC1 1145/4885SLC6A3 2454/4885GAA 2807/4885

“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.