SCHEMBL6812016

SCHEMBL6812016

COc1ccc2c(N)c(-c3ccc(OCc4ccccc4)cc3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
CYP3A4 P08684 1/20 0.45
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
SCD O00767 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSTP1 P09211 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43

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
SCHEMBL6812427 0.95 CYP3A4 (0.48) MAOBGAAMGAMSIMGAM2
SCHEMBL6806171 0.89 CYP3A4 (0.53) MAOBGAAMGAMSIMGAM2
SCHEMBL7744153 0.86 MAOB (0.48) MAOBGAAMGAMSIMGAM2
SCHEMBL6808221 0.86 CYP3A4 (0.48) MAOBGAAMGAMSIMGAM2
SCHEMBL6807721 0.86 CYP3A4 (0.48) MAOBGAAMGAMSIMGAM2
SCHEMBL8377008 0.84 TUBB4A (0.61) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6812421 0.83 TUBB4A (0.57) CYP3A4L3MBTL1MAPTTUBB4ATUBB
SCHEMBL6807206 0.81 MAOB (0.48) MAOBCYP3A4F9F10MAPT
SCHEMBL30619799 0.80 TUBB4A (0.54) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL26625400 0.80 TUBB4A (0.54) MAOBTUBB4ATUBBTUBA3CTUBA1B

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-20040044224-A1 Process for preparing 2-phenyl-3-aminobenzothiophenes CONRAD PRESTON CHARLES (US) 2004-03-04 US disclosed
WO-2002018364-A2 PROCESS FOR PREPARING 2-PHENYL-3-AMINOBENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-03-07 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-20040044224-A1 Process for preparing 2-phenyl-3-aminobenzothiophenes TPST2, SULT1A1, TYR MAOB 70/4885GAA 1634/4885MGAM 3401/4885

“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.