SCHEMBL7102580

SCHEMBL7102580

CCS(=O)(=O)Nc1ccc(C)c(Cc2c[nH]cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 2/20 0.37
KIT P10721 2/20 0.37
BRPF1 P55201 1/20 0.37
MAPK1 P28482 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ABL1 P00519 1/20 0.35
BRAF P15056 2/20 0.35
PLK4 O00444 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 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
SCHEMBL7248995 0.81 BRD4 (0.40) HPGDLMNAHTTSMN1; SMN2ADRA2A
SCHEMBL7248295 0.81 PGR (0.37) HPGDMAPTLMNAHTTSMN1; SMN2
SCHEMBL7254139 0.80 HPGD (0.31) HPGDMAPTLMNAHTTSMN1; SMN2
SCHEMBL5612868 0.79 ADRA1A (0.59) HPGDMAPTLMNAHTTSMN1; SMN2
SCHEMBL7105179 0.78 HPGD (0.39) HPGDMAPTLMNAHTTSMN1; SMN2
SCHEMBL7247802 0.76 SLC40A1 (0.33) HPGDMAPTLMNAHTTSMN1; SMN2
SCHEMBL10405987 0.75 GAA (0.42) HPGDMAPTLMNAHTT
SCHEMBL7248382 0.75 NR3C1 (0.41) HPGDLMNAHTTSMN1; SMN2ADRA2A
SCHEMBL7097637 0.75 BRD4 (0.32) HPGDLMNAHTTBRD4BRAF
SCHEMBL7103293 0.75 ADRA2C (0.42) HPGDLMNAHTTSMN1; SMN2ADRA1A

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
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-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO 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 HPGD 2765/4885MAPT 4075/4885LMNA 3579/4885

“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.