SCHEMBL15610652

SCHEMBL15610652

C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL15610552 1.00 TDP1 (0.51) TDP1L3MBTL1GLASMN1; SMN2HDAC4
SCHEMBL15610551 1.00 TDP1 (0.51) TDP1L3MBTL1GLASMN1; SMN2HDAC4
SCHEMBL15610148 0.90 SMN1; SMN2 (0.48) TDP1L3MBTL1GLASMN1; SMN2HDAC4
SCHEMBL15610147 0.90 SMN1; SMN2 (0.48) TDP1L3MBTL1GLASMN1; SMN2HDAC4
SCHEMBL15610437 0.90 SMN1; SMN2 (0.48) TDP1L3MBTL1GLASMN1; SMN2HDAC4
SCHEMBL513385 0.83 ALDH1A1 (0.61) TDP1GLASMN1; SMN2ALDH1A1POLB
SCHEMBL7475644 0.81 GLA (0.53) GLASMN1; SMN2ALDH1A1POLBCYP1A2
SCHEMBL7475632 0.81 GLA (0.53) GLASMN1; SMN2ALDH1A1POLBCYP1A2
SCHEMBL11600935 0.79 CA1 (0.48) TDP1L3MBTL1HDAC4HDAC7HDAC8
SCHEMBL5906135 0.78 POLB (0.55) TDP1L3MBTL1GLASMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900629-A2 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2015-08-05 EP disclosed
US-8906344-B2 F-18 radiolabeled compounds for diagnosing and monitoring kidney function KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-12-09 US disclosed
US-20140086837-A1 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-03-27 US disclosed
WO-2014045306-A2 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-03-27 WO 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-20140086837-A1 F-18 RADIOLABELED COMPOUNDS FOR DIAGNOSING AND MONITORING KIDNEY FUNCTION SLCO1B1, SLCO1B3, SLCO2B1 TDP1 4647/4885L3MBTL1 4725/4885GLA 1013/4885

“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.