SCHEMBL3219342

SCHEMBL3219342

O=S(=O)(c1ccc2ccccc2n1)C1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
CTSS P25774 4/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE10A Q9Y233 2/20 0.38
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 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
SCHEMBL3219331 0.80 MCOLN3 (0.44) CYP3A4CTSSKDM4ELMNASMN1; SMN2
SCHEMBL28265035 0.78 NPC1 (0.39) CYP3A4KDM4EPDE10ASMN1; SMN2MAPK1
SCHEMBL3213074 0.78 CTSS (0.57) CYP3A4CTSSADRB2HCAR2
SCHEMBL3214282 0.74 CYP3A4 (0.49) CYP3A4CTSSLMNAADRB2MAPK1
SCHEMBL3223542 0.72 CYP3A4 (0.45) CYP3A4CTSSADRB2SMN1; SMN2ALDH1A1
SCHEMBL3210443 0.72 CYP3A4 (0.47) CYP3A4CTSSLMNAADRB2RAB9A
SCHEMBL3213359 0.72 CYP3A4 (0.42) CYP3A4KDM4ELMNAMAPK1RAB9A
Quinoline SCHEMBL28264935 0.71 ALDH1A1 (0.50) CYP3A4KDM4EPDE10ARAB9AGSK3B
SCHEMBL3216334 0.70 KDM4E (0.51) KDM4EPDE10AALDH1A1
SCHEMBL3221653 0.70 HSD11B1 (0.53) NPSR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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 (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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CYP3A4 102/4885CTSS 1997/4885KDM4E 1296/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CYP3A4 108/4885CTSS 1885/4885KDM4E 1360/4885

“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.