SCHEMBL6491919

SCHEMBL6491919

CSc1ccc(NS(=O)(=O)NC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.50
▸ MAPT P10636 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ TRIM24 O15164 1/20 0.38

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
SCHEMBL12109051 0.78 CA1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8312186 0.77 KEAP1 (0.54) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL14799102 0.75 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL6975706 0.74 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL6981424 0.74 GAA (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL27182840 0.72 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL11256212 0.70 TDP1 (0.52) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL7528541 0.69 PTPN11 (0.61) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL6985939 0.67 HPGD (0.67) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL752168 0.67 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 — — US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 — — US disclosed
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 — — EP disclosed
EP-1286992-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2003-03-05 — — EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 — — US disclosed
WO-2001087881-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2001-11-22 — — WO disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 — — EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 — — WO 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A ALDH1A1 1545/4885MAPT 4284/4885KMT2A 4688/4885

“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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