SCHEMBL2953977

SCHEMBL2953977

N#Cc1cc(C=CC(=O)O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
CA12 O43570 2/20 0.45
AKR1B10 O60218 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA3 P07451 2/20 0.45
AKR1B1 P15121 2/20 0.45

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
SCHEMBL2953973 1.00 KDM4E (0.45) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL13200286 0.79 CSF1R (0.41) ALDH1A1HDAC1HPGDMEN1TTR
SCHEMBL831973 0.78 PIM2 (0.55) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL12669518 0.78 PIM2 (0.55) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL455637 0.75 MYC (0.42) KDM4EALDH1A1LMNAMYCRAB9A
SCHEMBL2961000 0.75 KDM4E (0.49) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL2960999 0.75 KDM4E (0.49) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL22229991 0.75 NR3C1 (0.51) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL18989859 0.75 NPSR1 (0.54) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL17157969 0.75 HDAC1 (0.58) KDM4EALDH1A1HSD17B10HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120314-A Compositions and methods for modulating hair growth 加利福尼亚大学董事会 2023-05-16 CN disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 KDM4E 3627/4885ALDH1A1 273/4885HSD17B10 648/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 KDM4E 3627/4885ALDH1A1 273/4885HSD17B10 648/4885

“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.