SCHEMBL7101996

SCHEMBL7101996

O=C1CCCc2c(O)ccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.40
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B1 P14061 1/20 0.35
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
PRKCI P41743 1/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23027524 0.85 BRD4 (0.40) BRD4ALDH1A1SMN1; SMN2HSD17B1MAOA
SCHEMBL29525031 0.84 ALDH1A1 (0.41) BRD4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL27913623 0.84 BRD4 (0.44) BRD4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL1477849 0.84 ALDH1A1 (0.41) BRD4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL8237233 0.80 ALDH1A1 (0.41) BRD4ALDH1A1SMN1; SMN2CREBBPMAPT
Hydrochloric Acid SCHEMBL9404876 0.78 CSNK2A2 (0.47) BRD4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL16555473 0.78 BRD4 (0.40) BRD4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL24542960 0.78 BRD4 (0.42) BRD4ALDH1A1SMN1; SMN2CREBBPMAPT
SCHEMBL31104321 0.78 BRD4 (0.40) BRD4ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL8432407 0.76 CYP1A2 (0.42) MAOABCL2L1BADKMT2A

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 26/4885ALDH1A1 263/4885SMN1; SMN2 639/4885

“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.