SCHEMBL21101593

SCHEMBL21101593

CN(C/C=C/C(=O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LSS P48449 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL21101598 0.92 LSS (0.37) KDM4EALDH1A1HTR2AHTR2CHTR2B
SCHEMBL21102457 0.84 KDM4E (0.38) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18909624 0.81 KDM4E (0.47) KDM4EADH1CADH1ATRPM8ALDH1A1
SCHEMBL17426072 0.79 KDM4E (0.45) KDM4EADH1CADH1ATRPM8ALDH1A1
SCHEMBL18904823 0.79 KDM4E (0.45) KDM4EADH1CADH1ATRPM8ALDH1A1
SCHEMBL14575794 0.78 KDM4E (0.46) KDM4EADH1CADH1AALDH1A1HTR2A
SCHEMBL18909608 0.78 KDM4E (0.42) KDM4EADH1CADH1ATRPM8ALDH1A1
SCHEMBL14575792 0.78 KDM4E (0.46) KDM4EADH1CADH1AALDH1A1HTR2A
SCHEMBL18909625 0.76 KDM4E (0.41) KDM4EADH1CADH1ATRPM8ALDH1A1
Hydrochloric Acid SCHEMBL14576545 0.76 KDM4E (0.45) KDM4EADH1CADH1AALDH1A1HTR2A

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-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 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-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 KDM4E 255/4885ADH1C 4025/4885ADH1A 4491/4885

“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.