SCHEMBL4835362

SCHEMBL4835362

C[C@@H]([C]=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 2/20 0.43
KCNN4 O15554 2/20 0.43
KCNA5 P22460 2/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
TBXAS1 P24557 2/20 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
SCHEMBL9314550 0.80 CYP19A1 (0.51) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9959832 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8911618 0.79 CFTR (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL365218 0.77
SCHEMBL30391667 0.76
SCHEMBL10446411 0.76 CFTR (0.58) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL10236 0.76
SCHEMBL11615117 0.76 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8186836 0.76 KDM4E (0.56) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL5509769 0.76 CYP19A1 (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC

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-7462731-B2 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein NPIL PHARMACEUTICALS (UK) LIMITED (GB) 2008-12-09 US disclosed
US-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein AVECIA LIMITED (GB) 2005-12-08 US disclosed
EP-1542985-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN Avecia Limited (GB) 2005-06-22 EP disclosed
WO-2004024708-A2 PROCESSES FOR THE PREPARATION OF HETEROCYCLIC HYDROXYAMINES AND INTERMEDIATES AND CATALYSTS FOR USE THEREIN AVECIA LIMITED (GB) 2004-03-25 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-20050272940-A1 Processes for the preparation of heterocyclic hydroxyamines and intermediates and catalysts for use therein OXGR1, HRH3, HRH4 CFTR 4379/4885SLC6A2 513/4885SLC6A4 631/4885

“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.