SCHEMBL6578432

SCHEMBL6578432

O=S(=O)(Nc1ccc(OCC2CCN(c3ccncc3)CC2)cc1)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LSS P48449 1/20 0.41
SCN9A Q15858 1/20 0.40
LMNA P02545 1/20 0.40
AR P10275 1/20 0.39
GLA P06280 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
SCHEMBL5631650 0.91 ALDH1A1 (0.56) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL6576136 0.89 CYP3A4 (0.47) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL7120480 0.86 KMT2A (0.47) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL7112202 0.86 F10 (0.48) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL7118163 0.84 F10 (0.44) F10LSS
SCHEMBL5632390 0.82 ALDH1A1 (0.45) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL9759900 0.79 ADRB1 (0.52) F10SMN1; SMN2AR
SCHEMBL7124112 0.78 F2 (0.46) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL5633263 0.78 F10 (0.55) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL9761013 0.78 F10 (0.47) F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2003-11-06 US claimed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
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 F10 8/4885ALDH1A1 753/4885MAPT 4882/4885

“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.