SCHEMBL7098066

SCHEMBL7098066

CCS(=O)(=O)Nc1cccc(/C(=C/OC)c2c[nH]cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ADRA2A P08913 1/20 0.39
POLB P06746 1/20 0.38
LRRK2 Q5S007 1/20 0.37
BRD4 O60885 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
MAP1LC3A Q9H492 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 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
SCHEMBL7097708 1.00 ADRA1A (0.44) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7097710 1.00 ADRA1A (0.44) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7104797 0.82 ADRA1A (0.46) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7099128 0.81 ADRA1A (0.45) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7102997 0.80 ALDH1A1 (0.44) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7596712 0.78 KCNA5 (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL7097232 0.77 ADRA1A (0.64) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7102973 0.76 ALDH1A1 (0.36) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7102966 0.76 ALDH1A1 (0.36) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7102969 0.76 ALDH1A1 (0.36) ADRA1AALDH1A1CYP1A2CYP3A4CYP2D6

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 4 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
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 ADRA1A 3/4885ALDH1A1 263/4885CYP1A2 587/4885

“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.