SCHEMBL1679704

SCHEMBL1679704

CCN(CC)CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 2/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NFKB1 P19838 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL1679566 0.88 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL31449957 0.87 L3MBTL1 (0.59) ALDH1A1LMNAMAPK1POLBSMN1; SMN2
SCHEMBL3337290 0.84 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL3322095 0.84 LIPG (0.47) CYP2C19KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2822476 0.84 HPGD (0.47) ALDH1A1KMT2AMEN1TMEM97SIGMAR1
SCHEMBL14189767 0.83 CA1 (0.45) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL29588581 0.82 HPGD (0.49) ALDH1A1LMNACYP2C19KMT2ASMN1; SMN2
SCHEMBL959879 0.80 CA1 (0.43) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL2802061 0.80 SMN1; SMN2 (0.47) LMNATMEM97SIGMAR1POLBSMN1; SMN2
SCHEMBL7894455 0.79 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 US disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO 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-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B ALDH1A1 4032/4885LMNA 1627/4885SLC22A2 3840/4885

“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.