SCHEMBL7098159

SCHEMBL7098159

O=S(=O)(CC(F)(F)F)Nc1cccc(Cc2c[nH]cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
ADRA1A P35348 1/20 0.45
LRRK2 Q5S007 1/20 0.41
PARP1 P09874 5/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP17A1 P05093 1/20 0.37
SRC P12931 1/20 0.36
ADRB3 P13945 1/20 0.35
HTR6 P50406 3/20 0.35
PGR P06401 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL5612868 0.86 ADRA1A (0.59) ADRA2AADRA1APARP1SRCHTR6
SCHEMBL7103193 0.83 PARP1 (0.48) ADRA2AADRA1APARP1HTR6
SCHEMBL7101603 0.80 PARP1 (0.54) PARP1
SCHEMBL28827289 0.76 ADRA2A (0.36) ADRA2AADRA1APARP1HTR6
SCHEMBL7822620 0.75 KDM4E (0.34) ADRA2AADRA1A
SCHEMBL7102837 0.75 LRRK2 (0.39) ADRA2AADRA1ALRRK2HSD17B1HSD17B2
SCHEMBL7103525 0.72 PARP1 (0.43) PARP1
SCHEMBL7097367 0.71 PARP1 (0.53) PARP1
SCHEMBL28260269 0.70 DAO (0.42)
SCHEMBL7549597 0.70 CA1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP claimed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO claimed
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
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO 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 ADRA2A 8/4885ADRA1A 3/4885LRRK2 4286/4885

“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.