SCHEMBL5833149

SCHEMBL5833149

Nc1ccccc1S[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 7/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPT P10636 7/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ APOBEC3G Q9HC16 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CA9 Q16790 2/20 0.39
▸ GLA P06280 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL1336721 0.84 LMNA (0.42) PDE7ASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL3044512 0.77 PDE7A (0.37) PDE7ASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL3838786 0.74 PDE7A (0.35) PDE7ASMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL3055047 0.74 GPR35 (0.39) PDE7ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL28351783 0.74 LMNA (0.46) PDE7ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8095611 0.72 PDE7A (1.00) PDE7ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11554587 0.72 SIRT1 (0.53) SMN1; SMN2MAPTKMT2AMEN1KDM4E
SCHEMBL28613090 0.71 PDE7A (0.34) PDE7ASMN1; SMN2
Silver SCHEMBL29146010 0.71 ALOX15 (0.59) PDE7ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11102967 0.70 PDE7A (0.61) PDE7ASMN1; SMN2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129377-B2 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2006-10-31 — — US disclosed
US-7041844-B2 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-05-09 — — US disclosed
US-20040248862-A1 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer TENNESSEE RESEARCH FOUNDATION, UNIVERSITY OF 2004-12-09 — — US disclosed
US-20030232882-A1 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer UNIVERSITY OF TENNESSEE RESEARCH CORPORATION, THE 2003-12-18 — — US disclosed
US-6482861-B2 ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF AN ARYL AMIDE CONTAINING COMPOUND, WHICH BINDS IRREVERSIBLY TO THE ANDROGEN RECEPTOR OF THE PROSTATE CANCER PATIENT THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-11-19 — — US disclosed
US-20010012839-A1 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer MILLER DUANE D (US) 2001-08-09 — — US disclosed
US-6071957-A TREATING PROSTRATE CANCER BY ADMINISTERING EFFECTIVE AMOUNT OF ANTIANGROGEN COMPOUND WHICH BINDS IRREVERSIBLY TO ANDROGEN RECEPTOR THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2000-06-06 — — 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 (3 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-20030232882-A1 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer AR, KLK3, NR5A1 PDE7A 1647/4885SMN1; SMN2 4870/4885MAPT 3717/4885
US-20010012839-A1 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer AR, KLK3, NR5A1 PDE7A 1647/4885SMN1; SMN2 4870/4885MAPT 3717/4885
US-20040248862-A1 Irreversible non-steroidal antagonist compound and its use in the treatment of prostate cancer AR, ESRRA, BRDT PDE7A 1803/4885SMN1; SMN2 4869/4885MAPT 4728/4885

“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.

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