SCHEMBL6410100

SCHEMBL6410100

O=C(NCc1cc(-c2ccccc2)no1)Nc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 3/20 0.55
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
JAK2 O60674 1/20 0.52
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.49
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NOTUM Q6P988 2/20 0.48
CSGALNACT1 Q8TDX6 1/20 0.48

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
SCHEMBL6408040 0.83 POLB (0.62) HTTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL6405193 0.81 MAPT (0.62) HTTTP53ALDH1A1POLBLMNA
SCHEMBL6405895 0.81 ALDH1A1 (0.57) HTTHPGDALDH1A1POLBLMNA
SCHEMBL6408055 0.80 HTT (0.54) HTTALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL5658056 0.79 TRPV1 (0.58)
SCHEMBL6401623 0.79 NOTUM (0.61) HTTHPGDALDH1A1POLBLMNA
SCHEMBL6402683 0.79 NTRK1 (0.48) HTTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL6403360 0.77 SIRT2 (0.55) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL6405148 0.77 NAMPT (0.53) HTTHPGDALDH1A1POLBLMNA
SCHEMBL23451628 0.77 POLB (0.75) HTTHPGDALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 HTT 483/4885TP53 4011/4885HPGD 3244/4885

“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.