SCHEMBL13453450

SCHEMBL13453450

Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ ALDH1A1 P00352 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ ALOX12 P18054 1/20 0.74
▸ IDH1 O75874 9/20 0.59
▸ HPGD P15428 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL13453452 0.85 LMNA (1.00) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13453463 0.84 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13453459 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13453456 0.78 MEN1 (0.64) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13454623 0.77 ALDH1A1 (0.70) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL15702452 0.75 IDH1 (1.00) IDH1
SCHEMBL2348633 0.75 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL13454561 0.75 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL30926907 0.74 GPR27 (0.66) SMN1; SMN2MEN1KMT2ANPSR1LMNA
SCHEMBL27180149 0.74 GPR27 (0.66) SMN1; SMN2MEN1KMT2ANPSR1LMNA

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 SMN1; SMN2 4659/4885MEN1 1940/4885KMT2A 1676/4885

“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.

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