SCHEMBL6812427

SCHEMBL6812427

COc1ccc(-c2sc3cc(OCc4ccccc4)ccc3c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
MAOB P27338 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 2/20 0.47
F9 P00740 2/20 0.45
F10 P00742 2/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 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
SCHEMBL6812016 0.95 MAOB (0.48) CYP3A4MAOBNPSR1MAPTF9
SCHEMBL6806171 0.91 CYP3A4 (0.53) CYP3A4MAOBNPSR1MAPTF9
SCHEMBL6808221 0.88 CYP3A4 (0.48) CYP3A4MAOBMAPTF9F10
SCHEMBL6807721 0.88 CYP3A4 (0.48) CYP3A4MAOBMAPTF9F10
SCHEMBL6807206 0.86 MAOB (0.48) CYP3A4MAOBNPSR1MAPTF9
SCHEMBL6812421 0.83 TUBB4A (0.57) CYP3A4NPSR1MAPTALDH1A1HTT
SCHEMBL7096339 0.82 L3MBTL1 (0.57) MAOBNPSR1F9F10ALDH1A1
SCHEMBL8377008 0.81 TUBB4A (0.61) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20442802 0.81 ESR1 (0.57) MGAMGAASIMGAM2TUBB4A
SCHEMBL7744153 0.81 MAOB (0.48) MAOBNPSR1F9F10MGAM

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-20040044224-A1 Process for preparing 2-phenyl-3-aminobenzothiophenes CONRAD PRESTON CHARLES (US) 2004-03-04 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-20040044224-A1 Process for preparing 2-phenyl-3-aminobenzothiophenes TPST2, SULT1A1, TYR CYP3A4 45/4885MAOB 70/4885NPSR1 2622/4885

“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.