SCHEMBL3201970

SCHEMBL3201970

O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCC(Oc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 3/20 0.57
TSHR P16473 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
HTR2C P28335 5/20 0.49
KCNH2 Q12809 3/20 0.49
HTR2A P28223 1/20 0.49
ADRB3 P13945 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.46
MMP8 P22894 2/20 0.44
MMP3 P08254 1/20 0.44
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL3201870 0.81 HTR2C (0.49) SMN1; SMN2KDM4EHTR2CKCNH2HTR2A
SCHEMBL3213866 0.81 HTR2C (0.55) SMN1; SMN2HTR2CKCNH2HTR2AMEN1
SCHEMBL3212101 0.80 MCOLN3 (0.61) SMN1; SMN2KDM4ETSHRHTR2CKCNH2
SCHEMBL3222016 0.79 HTR2C (0.49) SMN1; SMN2KDM4EHTR2CKCNH2HTR2A
SCHEMBL3212629 0.78 MEN1 (0.59) SMN1; SMN2TSHRHTTHTR2CKCNH2
SCHEMBL3209965 0.78 LMNA (0.58) SMN1; SMN2CYP3A4HTR2CKCNH2HTR2A
SCHEMBL3225853 0.78 CNR1 (0.54) SMN1; SMN2L3MBTL1HTR2CKCNH2HTR2A
SCHEMBL3221859 0.76 MEN1 (0.60) SMN1; SMN2KDM4EHTTHTR2CKCNH2
SCHEMBL27750066 0.76 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ETSHRCYP3A4CYP2C19
SCHEMBL5435039 0.75 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ETSHRCYP3A4CYP2C19

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 SMN1; SMN2 3575/4885KDM4E 1296/4885TSHR 3335/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 3686/4885KDM4E 1360/4885TSHR 2942/4885

“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.