SCHEMBL6716609

SCHEMBL6716609

O=S(=O)(Nc1ccc(C2=NCCc3ccc(Cl)cc32)cc1)c1ccc(-c2ccon2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PFKFB3 Q16875 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 1/20 0.46
GABRA1 P14867 1/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
F10 P00742 4/20 0.36
NR1H2 P55055 1/20 0.36
PRF1 P14222 1/20 0.35
PTPN1 P18031 3/20 0.35
HSPD1 P10809 2/20 0.35
PTPN2 P17706 2/20 0.35
PTPN5 P54829 2/20 0.35
HSPE1 P61604 2/20 0.35
F2 P00734 2/20 0.35
PFKFB4 Q16877 1/20 0.34

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
SCHEMBL6714757 0.91 PFKFB3 (0.52) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6724890 0.90 MEN1 (0.51) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6724818 0.88 KMT2A (0.52) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6720417 0.86 NPC1 (0.41) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6720396 0.86 KMT2A (0.51) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6718575 0.84 PFKFB3 (0.52) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6717937 0.83 MEN1 (0.49) MEN1KMT2APFKFB3DRD2HTR2C
SCHEMBL6780301 0.80 PFKFB3 (0.55) MEN1KMT2APFKFB3MAPTTP53
SCHEMBL6720454 0.78 DRD2 (0.39) PFKFB3DRD2HTR2CDRD3HTR6
SCHEMBL7067510 0.76 PFKFB3 (0.52) MEN1KMT2APFKFB3MAPTTP53

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-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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 (1 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A MEN1 4445/4885KMT2A 2851/4885PFKFB3 2298/4885

“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.