SCHEMBL13453452

SCHEMBL13453452

Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ ALOX12 P18054 2/20 1.00
▸ MEN1 O00255 7/20 0.74
▸ KMT2A Q03164 7/20 0.74
▸ NPSR1 Q6W5P4 3/20 0.74
▸ MAPT P10636 8/20 0.58
▸ HTT P42858 6/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ IDH1 O75874 6/20 0.56
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ HPGD P15428 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL13453450 0.85 SMN1; SMN2 (1.00) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL13453459 0.78 SMN1; SMN2 (0.67) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL13453467 0.74 ALDH1A1 (0.70) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL14096534 0.73 RAB9A (0.62) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL27181401 0.73 KMT2A (0.71) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL13454623 0.73 ALDH1A1 (0.70) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL13454754 0.73 ALDH1A1 (0.66) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL5457993 0.73 KDM4E (0.65) LMNAALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL15702455 0.72 IDH1 (1.00) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13453429 0.72 MEN1 (0.58) LMNAALDH1A1SMN1; SMN2ALOX12MEN1

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 LMNA 2945/4885ALDH1A1 4289/4885SMN1; 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.

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