SCHEMBL21882029

SCHEMBL21882029

O=C(NN1CCNCC1)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ATF4 P18848 3/20 0.48
HRH4 Q9H3N8 3/20 0.46
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F10 P00742 1/20 0.42
CHRM3 P20309 1/20 0.41
AKT1 P31749 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
Trifluoroacetic Acid SCHEMBL21819289 0.92 SLC2A1 (0.46) SMN1; SMN2ATF4HRH4PKMNPC1
SCHEMBL21882079 0.85 SMN1; SMN2 (0.67) SMN1; SMN2PKMCHRM3ALDH1A1LMNA
SCHEMBL21882371 0.79 ATF4 (0.53) ATF4HRH4
Trifluoroacetic Acid SCHEMBL21819605 0.77 SMN1; SMN2 (0.56) SMN1; SMN2PKMCHRM3ALDH1A1LMNA
SCHEMBL21882370 0.76 L3MBTL1 (0.55) ATF4HRH4NPC1RAB9A
SCHEMBL21819310 0.75 KMT2A (0.54) SMN1; SMN2ATF4HRH4LMNA
Hydrochloric Acid SCHEMBL6578952 0.74 GAA (0.47) SMN1; SMN2PKM
SCHEMBL1721295 0.73 CYP2D6 (0.67) SMN1; SMN2NPC1RAB9A
SCHEMBL27606796 0.73 HTT (0.47) SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL21819270 0.73 ATF4 (0.50) ATF4

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 SMN1; SMN2 3465/4885ATF4 1/4885HRH4 1989/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 SMN1; SMN2 3465/4885ATF4 1/4885HRH4 1989/4885

“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.