SCHEMBL7614346

SCHEMBL7614346

[CH2]CCC[CH]C(=O)NCCSc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
IGF1R P08069 6/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
TLR7 Q9NYK1 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33

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
SCHEMBL10133723 0.77 MAPT (0.68) MAPTIGF1RDRD2DRD3TLR7
SCHEMBL13940133 0.75 MAPT (0.72) MAPTIGF1RTLR7ADORA2AADORA1
SCHEMBL22275078 0.74 IGF1R (0.63) MAPTIGF1RNPSR1LMNAHTT
SCHEMBL7693307 0.74 MAPT (0.68) MAPTIGF1RDRD2DRD3TLR7
SCHEMBL18499105 0.72 CYP2C9 (0.63) MAPTIGF1RTLR7ADORA2AADORA1
SCHEMBL10113543 0.72 MAPT (0.61) MAPTDRD2DRD3TLR7CYP2C9
SCHEMBL9999685 0.72 MAPT (0.64) MAPTIGF1RTLR7ADORA2AADORA1
SCHEMBL10113816 0.72 MAPT (0.60) MAPTIGF1RDRD2DRD3TLR7
SCHEMBL11934977 0.71 MAPT (0.60) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL15917480 0.70 MAPT (0.54) MAPT

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
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US claimed
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 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-20020198254-A1 Polyamide analogs CYP51A1, HDAC6, ERG28 MAPT 2074/4885IGF1R 4036/4885DRD2 4627/4885

“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.