SCHEMBL2752062

SCHEMBL2752062

COc1ccccc1NC(=O)NC1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.71
TAS1R1 Q7RTX1 1/20 0.71
KMT2A Q03164 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MEN1 O00255 2/20 0.69
HTT P42858 1/20 0.69
KDM4E B2RXH2 3/20 0.68
LMNA P02545 3/20 0.68
ALDH1A1 P00352 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 2/20 0.68
MAPT P10636 2/20 0.63
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL20365400 0.99 KMT2A (0.72) TAS1R3TAS1R1KMT2ASMN1; SMN2MEN1
SCHEMBL2751300 0.85 ALDH1A1 (0.70) KMT2ASMN1; SMN2MEN1HTTKDM4E
SCHEMBL8067567 0.84 LMNA (0.57) TAS1R3TAS1R1KMT2ASMN1; SMN2MEN1
SCHEMBL8067570 0.84 LMNA (0.57) TAS1R3TAS1R1KMT2ASMN1; SMN2MEN1
SCHEMBL701072 0.83 TAS1R3 (1.00) TAS1R3TAS1R1KMT2ASMN1; SMN2LMNA
SCHEMBL6439308 0.82 KMT2A (1.00) KMT2ASMN1; SMN2MEN1HTTKDM4E
SCHEMBL21230470 0.82 EPHX1 (0.67) KMT2ASMN1; SMN2MEN1HTTKDM4E
SCHEMBL10541879 0.82 SMN1; SMN2 (0.62) TAS1R3TAS1R1KMT2ASMN1; SMN2KDM4E
SCHEMBL21230467 0.82 TAS1R3 (0.71) TAS1R3TAS1R1KMT2AMEN1KDM4E
SCHEMBL2752803 0.82 KMT2A (0.73) KMT2AMEN1KDM4ELMNAALDH1A1

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-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 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-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR TAS1R3 3093/4885TAS1R1 3095/4885KMT2A 682/4885

“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.