SCHEMBL6001383

SCHEMBL6001383

C1=C(N(Cc2ccccc2)c2nc(-c3cccs3)nc3ccccc23)OCO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 6/20 0.51
HPGD P15428 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GBA1 P04062 11/20 0.50
KDM4E B2RXH2 7/20 0.50
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47
PDE5A O76074 2/20 0.47
POLB P06746 2/20 0.43
PAX8 Q06710 1/20 0.43
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6001185 0.83 MEN1 (0.37) ALDH1A1LMNAHPGDL3MBTL1GBA1
SCHEMBL6001916 0.81 MEN1 (0.43) ALDH1A1LMNAHPGDL3MBTL1GBA1
SCHEMBL6001175 0.80 PDE5A (0.48) ALDH1A1LMNAHPGDL3MBTL1GBA1
Hydrochloric Acid SCHEMBL5358708 0.78 LMNA (0.35) ALDH1A1LMNAHPGDL3MBTL1GBA1
Hydrochloric Acid SCHEMBL5368590 0.75 LMNA (0.34) ALDH1A1LMNAHPGDL3MBTL1GBA1
SCHEMBL6001187 0.70 TDP1 (0.70) ALDH1A1LMNAHPGDL3MBTL1GBA1
SCHEMBL14323090 0.70 PDE5A (0.34) MAPTPDE5APOLBNPSR1
SCHEMBL4904331 0.70 SMN1; SMN2 (0.41) ALDH1A1LMNAHPGDL3MBTL1KDM4E
SCHEMBL6001211 0.67 MAPT (0.40) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3639827 0.67 RPS6KB2 (0.32) ALDH1A1KDM4ESMN1; SMN2NPSR1

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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ALDH1A1 2033/4885LMNA 706/4885HPGD 189/4885

“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.