SCHEMBL7104778

SCHEMBL7104778

CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.42
PSIP1 O75475 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 1/20 0.34
ADRA2A P08913 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
PARP14 Q460N5 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL7508889 0.85 PDE10A (0.35) PDE10APSIP1HPGDNR3C1ADRA2A
SCHEMBL7248382 0.84 NR3C1 (0.41) PDE10APSIP1HTTLMNAHPGD
SCHEMBL7100998 0.83 PSIP1 (0.38) PDE10APSIP1HTTLMNAHPGD
SCHEMBL7097451 0.83 PSIP1 (0.38) PDE10APSIP1ADRA2AADRA1AMRGPRX1
SCHEMBL7103692 0.83 PSIP1 (0.38) PDE10APSIP1HTTLMNAHPGD
Fumaric Acid SCHEMBL7508895 0.77 KCNA5 (0.34) PDE10APSIP1NR3C1ADRA2ASMN1; SMN2
Maleic Acid SCHEMBL7508871 0.77 KCNA5 (0.34) PDE10APSIP1NR3C1ADRA2ASMN1; SMN2
SCHEMBL10401901 0.75 ALDH1A1 (0.38) HTTLMNAHPGDHSD17B10ALDH1A1
SCHEMBL7101942 0.74 PDE10A (0.38) PDE10APSIP1HTTLMNAHPGD
SCHEMBL7248995 0.73 BRD4 (0.40) PDE10APSIP1HTTLMNAHPGD

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 PDE10A 250/4885PSIP1 2844/4885HTT 4621/4885

“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.