SCHEMBL25002012

SCHEMBL25002012

N=C1SCCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.60
CHRNA7 P36544 1/20 0.60
MAPK1 P28482 1/20 0.50
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
INMT O95050 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42

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
Bromide SCHEMBL9512786 0.98 CHRNA1 (0.59) CHRNA1CHRNA7MAPK1SIGMAR1LMNA
SCHEMBL25002904 0.89 INMT (0.51) CHRNA1CHRNA7MAPK1SIGMAR1LMNA
SCHEMBL25001916 0.88 CHRNA1 (0.49) CHRNA1CHRNA7MAPK1SIGMAR1LMNA
SCHEMBL7507814 0.84 CHRNA7 (0.68) CHRNA1CHRNA7SIGMAR1LMNAKMT2A
SCHEMBL7999126 0.82 CHRNA7 (0.61) CHRNA1CHRNA7MAPK1LMNAKMT2A
SCHEMBL4182979 0.81 MAPK1 (0.57) MAPK1SIGMAR1LMNAKMT2AMEN1
SCHEMBL6359826 0.80 CHRNA1 (0.59) CHRNA1CHRNA7MAPK1LMNAKMT2A
SCHEMBL10416940 0.78 KMT2A (0.58) MAPK1SIGMAR1LMNAKMT2AMEN1
Descyanothiacloprid SCHEMBL1556829 0.76 CHRNA7 (1.00) CHRNA1CHRNA7KMT2AMEN1SMN1; SMN2
SCHEMBL7501012 0.75 CHRNA7 (0.61) CHRNA1CHRNA7MAPK1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137893-A1 PYRROLO[2,3-b]PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS THE ROCKEFELLER UNIVERSITY (US) 2023-05-04 US disclosed
US-20230137893-A1 PYRROLO[2,3-b]PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS THE ROCKEFELLER UNIVERSITY (US) 2023-05-04 US disclosed
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO 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-20230137893-A1 PYRROLO[2,3-b]PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS LATS2, LATS1, YAP1 CHRNA1 3929/4885CHRNA7 3050/4885MAPK1 294/4885

“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.