SCHEMBL15312909

SCHEMBL15312909

Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.76
CA2 P00918 11/20 0.76
CA9 Q16790 11/20 0.76
CA12 O43570 8/20 0.76
LMNA P02545 2/20 0.63
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 1/20 0.63
THRB P10828 1/20 0.63
TSHR P16473 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
GLA P06280 1/20 0.54
ATM Q13315 1/20 0.53
EGFR P00533 3/20 0.52
ERBB2 P04626 3/20 0.52
CHRM1 P11229 1/20 0.50

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
Dtp-348 SCHEMBL15312833 0.86 CA1 (1.00) CA1CA2CA9CA12LMNA
Metronidazole SCHEMBL11482439 0.83 LMNA (0.86) CA1CA2CA9CA12LMNA
SCHEMBL7948094 0.82 CA1 (0.65) CA1CA2CA9CA12LMNA
SCHEMBL12369632 0.81 CA1 (0.68) CA1CA2CA9CA12LMNA
SCHEMBL7941864 0.81 CA1 (0.64) CA1CA2CA9CA12LMNA
SCHEMBL5332268 0.81 LMNA (0.67) CA1CA2CA9CA12LMNA
SCHEMBL5258409 0.81 CA1 (0.64) CA1CA2CA9CA12LMNA
SCHEMBL11518789 0.81 CA1 (0.72) CA1CA2CA9CA12LMNA
SCHEMBL15597315 0.80 LMNA (0.65) CA1CA2CA9CA12LMNA
SCHEMBL29196833 0.80 CA1 (0.67) CA1CA2CA9CA12LMNA

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
US-20150150849-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO- CLINIC" (NL) 2015-06-04 US disclosed
US-8980932-B2 Cancer targeting using carbonic anhydrase isoform IX inhibitors Stichting Maastricht Radiation Oncology “Maastro-Clinic” (NL) 2015-03-17 US disclosed
CN-103443083-A Cancer Targeting Using Carbonic Anhydrase Isoenzyme IX Inhibitors STICHTING MAASTRICHT RADIATION ONCOLOGY MAASTRO CLINIC 2013-12-11 CN disclosed
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS Supuran, Claudiu (IT) 2013-10-17 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 (2 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-20150150849-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 CA1 9/4885CA2 5/4885CA9 1/4885
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 CA1 9/4885CA2 5/4885CA9 1/4885

“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.