SCHEMBL15312866

SCHEMBL15312866

NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 1.00
CA1 P00915 16/20 1.00
CA9 Q16790 12/20 1.00
CA12 O43570 7/20 1.00
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
OPRK1 P41145 1/20 0.73
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA4 P22748 2/20 0.55
CA7 P43166 4/20 0.53
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL15312802 0.89 CA1 (1.00) CA2CA1CA9CA12CYP3A4
SCHEMBL29663426 0.85 CYP3A4 (0.78) CA2CA1CA9CA12CYP3A4
Benznidazole SCHEMBL45081 0.85 CYP3A4 (1.00) CA2CA1CA9CA12CYP3A4
SCHEMBL9953883 0.84 CA1 (1.00) CA2CA1CA9CA12CYP3A4
Benznidazole SCHEMBL2324217 0.82 CYP3A4 (0.89) CA2CA1CA9CA12CYP3A4
SCHEMBL9953139 0.78 CA2 (1.00) CA2CA1CA9CA12CYP3A4
SCHEMBL15024639 0.77 LMNA (0.80) CA2CA1CA9CA12CYP3A4
SCHEMBL8432165 0.76 LMNA (0.78) CA2CA1CA9CA12CYP3A4
Benznidazole SCHEMBL17560897 0.76 CYP3A4 (0.80) CA2CA1CA9CA12CYP3A4
SCHEMBL942538 0.75 LMNA (0.68) CA2CA1CA9CA12CYP3A4

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 CA2 5/4885CA1 9/4885CA9 1/4885
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 CA2 5/4885CA1 9/4885CA9 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.