SCHEMBL13453456

SCHEMBL13453456

O=C(NC(=S)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ HTT P42858 2/20 0.58
▸ HPGD P15428 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ EPHX1 P07099 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ ALOX12 P18054 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GPR27 Q9NS67 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL13453463 0.91 SMN1; SMN2 (0.73) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL13453458 0.83 LMNA (0.56) MEN1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL13453454 0.81 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL27180149 0.79 GPR27 (0.66) MEN1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL30926907 0.79 GPR27 (0.66) MEN1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL13453450 0.78 SMN1; SMN2 (1.00) MEN1KMT2ASMN1; SMN2NPSR1HPGD
SCHEMBL16358904 0.75 GPR55 (0.80) MEN1KMT2ASMN1; SMN2ALDH1A1ALOX12
SCHEMBL13453397 0.74 ALDH1A1 (0.49) MEN1KMT2ANPSR1HTTEPHX1
SCHEMBL13453459 0.73 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL13453448 0.72 ALDH1A1 (0.71) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1

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-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 — — US disclosed
US-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 — — US disclosed
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-18 — — US disclosed
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-18 — — 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 (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-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors PCTP, LCAT, CETP MEN1 1940/4885KMT2A 1676/4885SMN1; SMN2 4659/4885

“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.

Send feedback