SCHEMBL25170409

SCHEMBL25170409

CO[C@H]1CC[C@H](CNc2c([N+](=O)[O-])cccc2S(N)(=O)=O)CC1.NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.37
NPY1R P25929 2/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
VCAM1 P19320 1/20 0.37
MAPT P10636 7/20 0.36
PKM P14618 4/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 1/20 0.35
PRKCQ Q04759 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL30313896 0.90 NPY5R (0.41) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL25176203 0.90 NPY5R (0.41) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL1958921 0.85 MAPT (0.49) VCAM1MAPTPKMPOLBGAA
SCHEMBL16817147 0.85 MAPT (0.49) VCAM1MAPTPKMPOLBGAA
SCHEMBL9978320 0.85 MAPT (0.49) VCAM1MAPTPKMPOLBGAA
SCHEMBL1811004 0.79 MAPT (0.55) MAPTPKMPOLBGAANPSR1
SCHEMBL31286223 0.79 MAPT (0.55) MAPTPKMPOLBGAANPSR1
SCHEMBL523824 0.79 MAPT (0.55) MAPTPKMPOLBGAANPSR1
SCHEMBL523822 0.79 MAPT (0.55) MAPTPKMPOLBGAANPSR1
SCHEMBL4733973 0.77 KMT2A (0.45) NPY5RNPY1RDRD2ADRA2CMAPT

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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 NPY5R 4675/4885NPY1R 4817/4885DRD2 4680/4885

“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.