SCHEMBL23727902

SCHEMBL23727902

COc1cccc(-n2ccsc2=NC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NOTUM Q6P988 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
MGLL Q99685 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PMM2 O15305 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL23727900 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL23727946 0.85 NPC1 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23727949 0.85 NPC1 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30130800 0.84 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL30136217 0.84 MAPT (0.46) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL23727905 0.84 NOTUM (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL23727904 0.84 NOTUM (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2862891 0.83 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2862895 0.83 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL23727790 0.82 NPC1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1

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
EP-4100008-A1 PYRROLO [2,3-B]PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS The Rockefeller University (US) 2022-12-14 EP disclosed
WO-2021158936-A1 PYRROLO [2,3-B]PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS THE ROCKEFELLER UNIVERSITY (US) 2021-08-12 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 ALDH1A1 3775/4885KDM4E 1083/4885HPGD 2492/4885

“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.