SCHEMBL6576136

SCHEMBL6576136

O=S(=O)(Nc1ccc(OCC2CCN(c3ccncc3)CC2)cc1)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AR P10275 1/20 0.45
LSS P48449 1/20 0.44
MAPT P10636 4/20 0.44
F10 P00742 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL5632390 0.91 ALDH1A1 (0.45) ARMAPTF10KMT2AALDH1A1
SCHEMBL6578432 0.89 F10 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL7115867 0.85 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL7112971 0.84 F10 (0.45) LSSF10
SCHEMBL5631650 0.83 ALDH1A1 (0.56) HTTSMN1; SMN2MAPTF10KMT2A
SCHEMBL9759900 0.81 ADRB1 (0.52) SMN1; SMN2ARF10
SCHEMBL9761013 0.79 F10 (0.47) F10
SCHEMBL5632013 0.77 LMNA (0.47) MAPTKMT2AALDH1A1MEN1
SCHEMBL7118163 0.75 F10 (0.44) LSSF10
SCHEMBL7112202 0.75 F10 (0.48) LSSMAPTF10KMT2AALDH1A1

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
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP claimed
US-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2003-11-06 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-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents F2, SERPINC1, F11 CYP3A4 211/4885CYP2D6 324/4885CYP1A2 62/4885

“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.