SCHEMBL4560910

SCHEMBL4560910

CCN(C(=O)c1cccc(C)c1I)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
TRPM8 Q7Z2W7 3/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD11B1 P28845 1/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL10720319 0.83 L3MBTL1 (0.60) L3MBTL1TSHRSMN1; SMN2TRPM8ALDH1A1
SCHEMBL9001748 0.77 TSHR (0.68) L3MBTL1TSHRSMN1; SMN2TRPM8ALDH1A1
SCHEMBL4139952 0.76 L3MBTL1 (0.62) L3MBTL1TSHRALDH1A1LMNAMEN1
SCHEMBL10720234 0.75 HSD11B1 (0.56) L3MBTL1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL7286178 0.74 MEN1 (0.46) ALDH1A1LMNAMEN1KMT2ASLC6A2
SCHEMBL3094963 0.74 TSHR (0.49) L3MBTL1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL10722280 0.74 HSD11B1 (0.70) L3MBTL1TSHRLMNAMEN1KMT2A
SCHEMBL2225884 0.73 HPGD (0.57) L3MBTL1TSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL7290560 0.73 MEN1 (0.44) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL10726904 0.72 SLC6A4 (0.54) L3MBTL1TSHRTRPM8LMNAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 L3MBTL1 4442/4885TSHR 3099/4885SMN1; SMN2 4747/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 L3MBTL1 4442/4885TSHR 3099/4885SMN1; SMN2 4747/4885

“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.