SCHEMBL11893095

SCHEMBL11893095

C=C1C=CC(C(=O)NN)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MPO P05164 2/20 0.31
CYP3A4 P08684 2/20 0.31
BLM P54132 2/20 0.31
P2RX7 Q99572 1/20 0.31
KDM5A P29375 1/20 0.31
GFER P55789 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
NSD2 O96028 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPI P09923 1/20 0.31
GAA P10253 1/20 0.31
ALPG P10696 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL7259999 0.82
SCHEMBL3452977 0.78 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL1646118 0.75
SCHEMBL665568 0.72
SCHEMBL26935263 0.66 MAPT (0.33) ALDH1A1KDM4EMAPTGAACTSD
SCHEMBL28284127 0.65 KCNA3 (0.37) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL27588323 0.65 KDM4E (0.35) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL18269376 0.65 GABRR1 (0.33) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL14969753 0.64 BLM (0.33) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL18269377 0.61 MPO (0.31) ALDH1A1LMNAKDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. 2012-07-26 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-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 ALDH1A1 4500/4885LMNA 1690/4885KDM4E 3791/4885

“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.