SCHEMBL7103532

SCHEMBL7103532

Nc1ccc(Cl)c2c1CCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.43
BRD9 Q9H8M2 3/20 0.43
BRDT Q58F21 2/20 0.43
BRD7 Q9NPI1 2/20 0.43
CREBBP Q92793 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
ADORA2A P29274 1/20 0.41
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 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
SCHEMBL9040886 0.85 BRD4 (0.43) BRD4BRD9BRDTBRD7CREBBP
SCHEMBL22463115 0.84 BRD4 (0.44) BRD4CREBBPADORA2ADYRK1AALDH1A1
Hydrochloric Acid SCHEMBL9868389 0.82 BRD4 (0.43) BRD4BRD9BRDTBRD7CREBBP
SCHEMBL31104321 0.81 BRD4 (0.40) BRD4BRD9BRDTBRD7CREBBP
SCHEMBL7098070 0.81 BRD4 (0.49) BRD4BRD9BRDTBRD7CREBBP
SCHEMBL6686475 0.78 BRD4 (0.42) BRD4BRD9BRDTBRD7CREBBP
SCHEMBL2370165 0.78 KDM4E (0.45) BRD4BRD9BRDTBRD7CREBBP
SCHEMBL18029681 0.76 NISCH (0.38) ALDH1A1PARP1MAPT
SCHEMBL31135856 0.76 NISCH (0.38) ALDH1A1PARP1MAPT
Hydrochloric Acid SCHEMBL28585961 0.74 TSHR (0.38) ALDH1A1PARP1LMNAMAPTRAB9A

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 BRD4 26/4885BRD9 144/4885BRDT 25/4885

“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.