SCHEMBL6552805

SCHEMBL6552805

O=C(O)C=C1c2ccsc2CCC1(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.32
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL4097012 0.68 CYP19A1 (0.43) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL4097016 0.68 CYP19A1 (0.43) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL4803440 0.62 NOS2 (0.33) USP2
SCHEMBL16628455 0.62 ALK (0.34) MEN1KMT2A
SCHEMBL16628454 0.62 ALK (0.34) MEN1KMT2A
SCHEMBL9296517 0.61 ADRA2A (0.41) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL15219995 0.56 CES1 (0.50) MEN1MAPTMAPK1KMT2AUSP2
SCHEMBL15622089 0.56 ITGB3 (0.35)
SCHEMBL31564075 0.54 FFAR3 (0.38) MEN1MAPTMAPK1KMT2A
SCHEMBL3872610 0.53 NOS2 (0.50) USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E MEN1 1131/4885MAPT 2990/4885MAPK1 3694/4885

“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.