SCHEMBL394382

SCHEMBL394382

Nc1cnccc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 16/20 0.55
CA2 P00918 16/20 0.55
CA9 Q16790 16/20 0.55
CA1 P00915 15/20 0.55
CA14 Q9ULX7 14/20 0.55
CYP2C9 P11712 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44

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
SCHEMBL394384 0.83 CA12 (0.60) CA12CA2CA9CA1CA14
SCHEMBL27619565 0.81 KDM4E (0.47) CA12CA2CA9CA1CA14
SCHEMBL18230499 0.81 KDM4E (0.47) CA12CA2CA9CA1CA14
SCHEMBL30050575 0.81 KDM4E (0.47) CA12CA2CA9CA1CA14
Hydrochloric Acid SCHEMBL18228076 0.79 KDM4E (0.46) CA12CA2CA9CA1CA14
SCHEMBL30014737 0.78 CA12 (0.55) CA12CA2CA9CA1CA14
SCHEMBL29114606 0.77 CA12 (0.53) CA12CA2CA9CA1CA14
SCHEMBL13177253 0.76 KDM4E (0.43) CA12CA2CA9CA1CA14
SCHEMBL25839306 0.76 ALDH1A1 (0.43) CA12CA2CA9CA1CA14
SCHEMBL28259766 0.75 CA12 (0.56) CA12CA2CA9CA1CA14

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670490-B1 METHOD OF PURIFYING PINE CHEMICAL COMPOSITIONS FROM ALDEHYDES KRATON POLYMERS LLC (US) 2023-01-18 EP claimed
EP-3670490-A1 METHOD OF PURIFYING PINE CHEMICAL COMPOSITIONS FROM ALDEHYDES Kraton Polymers LLC (US) 2020-06-24 EP claimed
US-20200165191-A1 Method of Purifying Pine Chemical Compositions from Aldehydes KRATON POLYMERS LLC (US) 2020-05-28 US claimed
EP-3670490-B1 METHOD OF PURIFYING PINE CHEMICAL COMPOSITIONS FROM ALDEHYDES KRATON POLYMERS LLC (US) 2023-01-18 EP disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
US-10822302-B2 Method of purifying pine chemical compositions from aldehydes KRATON POLYMERS LLC (US) 2020-11-03 US disclosed
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP disclosed
EP-3670490-A1 METHOD OF PURIFYING PINE CHEMICAL COMPOSITIONS FROM ALDEHYDES Kraton Polymers LLC (US) 2020-06-24 EP disclosed
US-20200165191-A1 Method of Purifying Pine Chemical Compositions from Aldehydes KRATON POLYMERS LLC (US) 2020-05-28 US disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
US-7939524-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-7939524-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
CN-101677563-A 5, 6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS INC 2010-03-24 CN disclosed
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2010-02-11 US disclosed
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2010-02-11 US disclosed
US-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2010-02-11 US disclosed
EP-2129224-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS Anadys Pharmaceuticals, Inc. (US) 2009-12-09 EP disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
WO-2008124450-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-10-16 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 (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-20100034773-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CA12 4800/4885CA2 4838/4885CA9 4776/4885
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A CA12 4594/4885CA2 4004/4885CA9 4651/4885

“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.