SCHEMBL9953612

SCHEMBL9953612

CCC(O)c1ncc([N+](=O)[O-])[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
CHRM1 P11229 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9830964 0.81 MAPK1 (0.36) MAPK1ATMCHRM1MEN1USP2
SCHEMBL1441383 0.79 MAPK1 (0.38) MAPK1ATMCHRM1MEN1USP2
SCHEMBL11830952 0.78 CHRM1 (0.33) CHRM1
SCHEMBL11830450 0.78
SCHEMBL11775749 0.78
SCHEMBL11831678 0.78
SCHEMBL11735795 0.78 MAPK1 (0.32) MAPK1ATMNPC1MAPTMEN1
SCHEMBL5045818 0.77 MAPK1 (0.34) MAPK1ATM
SCHEMBL11384100 0.75 NPC1 (0.35) NPC1MAPTMEN1KMT2A
SCHEMBL11750132 0.74 CHRM1 (0.35) MAPK1ATMCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1083355-A The local drug delivery film that is used for the treatment of periodontal disease DONG KOOK PHARM CO LTD (KR) 1994-03-09 CN claimed
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
EP-2655336-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO CLINIC" (NL) 2013-10-30 EP disclosed
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS Supuran, Claudiu (IT) 2013-10-17 US disclosed
WO-2012087115-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2012-06-28 WO disclosed
CN-1656096-A Alkyl-substituted imidazopyridines for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2005-08-17 CN disclosed
CN-1034078-C Boronic acid adducts of rhenium dioxime and technetium-99M dioxime complexes containing biochemically active groups BURA SCIENCE AND TECH INTERNAT (US) 1997-02-19 CN disclosed
CN-1133354-A Biological pollution control for oil field ROHM & HAAS (US) 1996-10-16 CN disclosed
CN-1111621-A Boronic acid adducts of rhenium dioxime and technetium-99m dioxime complexes containing a biochemically active group SQUIBB & SONS INC (US) 1995-11-15 CN disclosed
CN-1093084-A The rhenium and the technetium complex that comprise the anoxic localization part SQUIBB & SONS INC (US) 1994-10-05 CN disclosed
CN-1083355-A The local drug delivery film that is used for the treatment of periodontal disease DONG KOOK PHARM CO LTD (KR) 1994-03-09 CN disclosed
CN-1021052-C 8-ALKOXYQUINOLONECAR BOXYLIC ACID AND SALTS THEREOF EXCELLENT IN SELECTIVE TOXICITY AND PROCESS OF PREPARING SAME KYORIN SEIYAKU KK (JP) 1993-06-02 CN disclosed
CN-1071928-A The rhenium and the technetium complex that comprise the anoxic localization part SQUIBB & SONS INC (US) 1993-05-12 CN 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 MAPK1 3753/4885ATM 2675/4885CHRM1 2408/4885
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 MAPK1 2993/4885ATM 2783/4885CHRM1 3787/4885

“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.