SCHEMBL23455779

SCHEMBL23455779

O=C(ON1CC(c2ccc(Cl)cc2)C1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.37
SLC6A3 Q01959 1/20 0.37
SRD5A1 P18405 1/20 0.37
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PROKR1 Q8TCW9 2/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10006676 0.85 HTR2C (0.41) ALDH1A1POLBPROKR1
SCHEMBL10006606 0.84 MEN1 (0.39) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL21385821 0.81 ACACB (0.34) MGLL
SCHEMBL21382139 0.80 RORC (0.39)
SCHEMBL21382104 0.79 MGLL (0.41) MGLL
SCHEMBL21381817 0.79 CACNA1G (0.40) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5224982 0.78 S1PR5 (0.37) MGLLALDH1A1POLBSMN1; SMN2
SCHEMBL21382111 0.77 SLC6A9 (0.41)
SCHEMBL22638731 0.75 HTR2C (0.42) ALDH1A1POLBPROKR1
SCHEMBL15571861 0.75 MAPT (0.43) ALDH1A1POLBHTTSMN1; SMN2KDM1A

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-11939320-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2024-03-26 US disclosed
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-06-10 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-11939320-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 MGLL 2627/4885SLC6A3 3310/4885SRD5A1 2427/4885
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MGLL 2627/4885SLC6A3 3310/4885SRD5A1 2427/4885

“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.