SCHEMBL1415740

SCHEMBL1415740

CC(C)c1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.72
TRIM24 O15164 1/20 0.51
BRD1 O95696 1/20 0.51
BRPF1 P55201 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.49
PKM P14618 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
KIT P10721 1/20 0.46
TP53 P04637 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL11094424 0.88 FFAR4 (0.82) FFAR4ALDH1A1GAAPKMPOLB
SCHEMBL6151524 0.85 FFAR4 (0.78) FFAR4ALDH1A1GAAPKMPOLB
SCHEMBL11094292 0.85 FFAR4 (0.81) FFAR4ALDH1A1GAAPKMPOLB
SCHEMBL10618991 0.84 FFAR4 (1.00) FFAR4ALDH1A1GAAPKMPOLB
SCHEMBL1415291 0.84 TRIM24 (0.58) FFAR4TRIM24BRD1BRPF1ALDH1A1
Hydrochloric Acid SCHEMBL1973363 0.82 TRIM24 (0.56) FFAR4TRIM24BRD1BRPF1ALDH1A1
SCHEMBL7577593 0.81 CA2 (0.66) ALDH1A1PKMPOLBMAPTSMN1; SMN2
SCHEMBL11100512 0.80 FFAR4 (0.68) FFAR4ALDH1A1PKMPOLBMAPT
SCHEMBL11083018 0.79 FFAR4 (0.67) FFAR4ALDH1A1PKMPOLBMAPT
SCHEMBL1251538 0.78 FFAR4 (0.66) FFAR4ALDH1A1GAAPKMPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
EP-1809598-B1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-03-16 EP disclosed
EP-1809598-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006040180-A1 AMINOMETHYL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 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-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 FFAR4 297/4885TRIM24 4130/4885BRD1 954/4885

“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.