SCHEMBL4856771

SCHEMBL4856771

COc1cc(Cl)ccc1C(O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALPL P05186 2/20 0.48
CYP19A1 P11511 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNA5 P22460 2/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 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
SCHEMBL14419271 0.89 GAA (0.54) GAAALPLCYP19A1SMN1; SMN2MAPK1
SCHEMBL25263951 0.84 GAA (0.50) GAAALPLSMN1; SMN2MAPK1KDM4E
SCHEMBL10562484 0.84 ALPL (0.45) ALPLCYP19A1MAPK1KMT2AKDM4E
SCHEMBL25262647 0.83 GAA (0.67) GAACYP19A1SMN1; SMN2MAPK1KDM4E
Hydrochloric Acid SCHEMBL30231158 0.83 GAA (0.49) GAACYP19A1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10967991 0.81 SMN1; SMN2 (0.53) GAACYP19A1SMN1; SMN2KMT2AKDM4E
SCHEMBL10968819 0.79 SLC6A4 (0.48) GAACYP19A1SMN1; SMN2KMT2AHSP90AA1
SCHEMBL11196051 0.75 GAA (0.41) GAACYP19A1SMN1; SMN2SLC6A4CYP3A4
SCHEMBL10705171 0.74 SMN1; SMN2 (0.56) GAASMN1; SMN2MAPK1KMT2AKDM4E
SCHEMBL10970695 0.74 SMN1; SMN2 (0.46) CYP19A1SMN1; SMN2MAPK1KMT2AKDM4E

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 GAA 1745/4885ALPL 4020/4885CYP19A1 1766/4885

“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.