SCHEMBL7100360

SCHEMBL7100360

COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1cn(C)cn1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.45
ADRA2A P08913 4/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL7103401 0.88 ADRA2A (0.42) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL7098678 0.87 ADRA1A (0.43) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL7097810 0.86 ADRA2A (0.59) ADRA1AADRA2AMEN1ALOX15KMT2A
Hydrochloric Acid SCHEMBL7102230 0.85 ADRA2A (0.58) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL7101744 0.83 ADRA2A (0.48) ADRA1AADRA2AMEN1ALOX15KMT2A
Hydrochloric Acid SCHEMBL7104810 0.82 ADRA2A (0.48) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL7102100 0.81 ADRA1A (0.60) ADRA1AADRA2A
Hydrochloric Acid SCHEMBL7098366 0.81 ADRA1A (0.59) ADRA1AADRA2A
SCHEMBL7098679 0.80 ADRA2A (0.48) ADRA1AADRA2AMEN1ALOX15KMT2A
SCHEMBL7102182 0.80 ADRA1A (0.36) ADRA1AADRA2ACA1CA2

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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ADRA1A 3/4885ADRA2A 8/4885MEN1 3832/4885

“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.