SCHEMBL21882071

SCHEMBL21882071

NN1CCC(NC(=O)I)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
EPHX2 P34913 8/20 0.35
EPHX1 P07099 7/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL13654294 0.80 LTA4H (0.38) HTTEPHX2EPHX1ALDH1A1NPC1
SCHEMBL18559452 0.80 HTT (0.36) HTTEPHX2EPHX1ALDH1A1NPC1
SCHEMBL12425051 0.80 EPHX1 (0.37) HTTEPHX2EPHX1ALDH1A1NPC1
SCHEMBL13654292 0.78 ATM (0.44) EPHX2EPHX1ALDH1A1KDM4E
SCHEMBL19457387 0.78 KDM4E (0.43) EPHX2EPHX1ALDH1A1KDM4E
SCHEMBL19501195 0.78 HTT (0.35) HTTEPHX2EPHX1ALDH1A1NPC1
SCHEMBL14303156 0.78
SCHEMBL13654274 0.77 POLB (0.53) HTTEPHX2ALDH1A1RAB9ACYP3A4
SCHEMBL23173205 0.75 SIGMAR1 (0.38) EPHX2EPHX1ALDH1A1CYP3A4
SCHEMBL21882358 0.75 EPHX2 (0.34) HTTEPHX2EPHX1ALDH1A1NPC1

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-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 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 (2 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-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 HTT 3889/4885EPHX2 4001/4885EPHX1 4173/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 HTT 3889/4885EPHX2 4001/4885EPHX1 4173/4885

“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.