SCHEMBL6408040

SCHEMBL6408040

O=C(NCc1cc(-c2ccccc2)no1)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.61
JAK2 O60674 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.59
MAPT P10636 5/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
GAA P10253 1/20 0.58
CNR1 P21554 4/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP2C9 P11712 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49

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
SCHEMBL6405193 0.88 MAPT (0.62) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6408055 0.87 HTT (0.54) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6405148 0.86 NAMPT (0.53) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6405937 0.83 NPC1 (0.56) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6410100 0.83 HTT (0.57) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6403827 0.83 POLB (0.65) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6403360 0.81 SIRT2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL11495864 0.81 POLB (0.78) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6404124 0.81 POLB (0.69) POLBHTTSMN1; SMN2ALDH1A1JAK2
SCHEMBL6401623 0.79 NOTUM (0.61) POLBHTTSMN1; SMN2ALDH1A1JAK2

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 POLB 3713/4885HTT 483/4885SMN1; SMN2 4458/4885

“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.