SCHEMBL6989142

SCHEMBL6989142

Fc1ccc(-c2ccc3c(-c4cccnc4)csc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.50
CYP19A1 P11511 1/20 0.49
TDO2 P48775 2/20 0.48
MAP3K7 O43318 1/20 0.42
TAB1 Q15750 1/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FYN P06241 1/20 0.41
DYRK1A Q13627 2/20 0.41
DYRK1B Q9Y463 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.40
GRM1 Q13255 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
LIMK1 P53667 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
Hydrochloric Acid SCHEMBL6987641 0.99 CYP17A1 (0.52) CYP17A1CYP19A1TDO2MAP3K7TAB1
SCHEMBL6985821 0.91 TDO2 (0.47) CYP17A1CYP19A1TDO2MAP3K7TAB1
SCHEMBL6985095 0.90 CYP11B1 (0.45) CYP17A1CYP19A1MAP3K7TAB1RAB9A
SCHEMBL6985848 0.90 DYRK1A (0.50) CYP17A1CYP19A1MAP3K7TAB1MEN1
Hydrochloric Acid SCHEMBL6977360 0.90 TDO2 (0.46) CYP17A1CYP19A1TDO2MAP3K7TAB1
Hydrochloric Acid SCHEMBL6985047 0.89 CYP11B1 (0.44) CYP17A1CYP19A1MAP3K7TAB1RAB9A
SCHEMBL6985680 0.88 CYP19A1 (0.50) CYP17A1CYP19A1MAP3K7TAB1RAB9A
SCHEMBL6981139 0.84 CYP3A4 (0.54) CYP17A1CYP19A1MAP3K7TAB1RAB9A
SCHEMBL6985775 0.84 MAPT (0.55) CYP19A1MAP3K7TAB1RAB9AMAPT
SCHEMBL6987081 0.83 MAP3K7 (0.40) MAP3K7TAB1DYRK1ADYRK1BCYP11B1

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 CYP17A1 1/4885CYP19A1 17/4885TDO2 637/4885

“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.