SCHEMBL4857487

SCHEMBL4857487

O=CNCc1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NFE2L2 Q16236 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC40A1 Q9NP59 5/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4224354 0.79 ALDH1A1 (0.53) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL22326459 0.79 KDM1A (0.46) ADH1BADH1CADH1AADH7MAPK1
SCHEMBL21354949 0.79 ADH1B (0.37) ADH1BADH1CADH1AADH7
SCHEMBL657873 0.79 ADH1B (0.41) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL1514918 0.77 NFE2L2 (0.39) ALDH1A1NFE2L2HTTSMN1; SMN2GAA
SCHEMBL1338097 0.76 NFE2L2 (0.36) ALDH1A1HPGDNFE2L2HTTSMN1; SMN2
SCHEMBL21355297 0.76 ADH1B (0.35) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL29724046 0.76 KLKB1 (0.35) ADH1BADH1CADH1AADH7
SCHEMBL21355260 0.76 KLKB1 (0.35) ADH1BADH1CADH1AADH7
SCHEMBL1128728 0.76 ADH1B (0.36) ADH1BADH1CADH1AADH7

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ADH1B 3730/4885ADH1C 3527/4885ADH1A 4156/4885

“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.