SCHEMBL6500831

SCHEMBL6500831

COc1ccc(C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
PKM P14618 2/20 0.67
TP53 P04637 1/20 0.65
GAA P10253 4/20 0.62
NSD2 O96028 1/20 0.62
POLB P06746 1/20 0.62
GFER P55789 1/20 0.62
HRH3 Q9Y5N1 1/20 0.58
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HRH2 P25021 1/20 0.53

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
SCHEMBL4874455 0.82 ALDH1A1 (0.76) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL15935698 0.82 ALDH1A1 (0.94) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL7892719 0.81 ALDH1A1 (0.80) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL15503835 0.81 ALDH1A1 (0.97) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4873274 0.78 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL12272315 0.78 HRH3 (0.74) ALDH1A1LMNAKMT2AGAAHRH3
SCHEMBL14595456 0.77 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL3844533 0.77 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL15033016 0.76 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL12272451 0.75 HRH3 (1.00) HRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215582-A1 Substituted pyrrolopyridines ASTRAZENECA AB (SE) 2005-09-29 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 (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-20050215582-A1 Substituted pyrrolopyridines ITK, WEE1, PDPK1 ALDH1A1 1591/4885KDM4E 1691/4885LMNA 3911/4885

“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.