SCHEMBL7102969

SCHEMBL7102969

CCS(=O)(=O)Nc1cccc(/C(=C\OC)c2cn(S(=O)(=O)N(C)C)cn2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HTT P42858 1/20 0.35
BRD4 O60885 6/20 0.35
MAP3K5 Q99683 1/20 0.35
LRRK2 Q5S007 1/20 0.34
POLB P06746 1/20 0.34
BRDT Q58F21 1/20 0.33
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL7102966 1.00 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7102973 1.00 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7100870 0.84 HTT (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7097295 0.82 ESRRA (0.30)
SCHEMBL7097293 0.82 ESRRA (0.30)
SCHEMBL7097292 0.82 ESRRA (0.30)
SCHEMBL7100873 0.79 MAPT (0.39) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7097710 0.76 ADRA1A (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7097708 0.76 ADRA1A (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7098066 0.76 ADRA1A (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 ALDH1A1 263/4885CYP1A2 587/4885CYP3A4 720/4885

“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.