SCHEMBL6982439

SCHEMBL6982439

COc1ccc(-c2ccc3c(-c4cccnc4)csc3c2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CYP19A1 P11511 3/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP17A1 P05093 1/20 0.50
MAPT P10636 3/20 0.49
FYN P06241 1/20 0.49
KIT P10721 1/20 0.49
NPY5R Q15761 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6982148 0.86 CYP11B2 (0.52) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL6985848 0.86 DYRK1A (0.50) ALDH1A1MKNK1MKNK2CYP19A1CYP11B1
SCHEMBL6982299 0.85 CYP11B2 (0.51) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL6985271 0.84 CYP11B2 (0.50) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL6985095 0.83 CYP11B1 (0.45) HPGDALDH1A1KDM4EMKNK1MKNK2
SCHEMBL6981655 0.82 KDM4E (0.55) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL6985047 0.82 CYP11B1 (0.44) HPGDALDH1A1KDM4EMKNK1MKNK2
Hydrochloric Acid SCHEMBL6982572 0.81 KDM4E (0.54) SMN1; SMN2HPGDALDH1A1KDM4EHSD17B10
SCHEMBL6985680 0.81 CYP19A1 (0.50) ALDH1A1KDM4EMAPK1CYP19A1CYP11B1
SCHEMBL11342031 0.80 KDM4E (0.70) SMN1; SMN2KDM4EMAPK1HSD17B10MKNK1

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-20030130340-A1 Novel benzothiophene derivatives DAIICHI PHARMACEUTICAL CO. LTD. 2003-07-10 US disclosed
EP-1283209-A1 NOVEL BENZOTHIOPHENE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 EP 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-20030130340-A1 Novel benzothiophene derivatives CYP17A1, CYP21A2, HSD17B1 SMN1; SMN2 4812/4885HPGD 884/4885ALDH1A1 162/4885

“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.