SCHEMBL4089662

SCHEMBL4089662

Nc1cccc(F)c1C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
PREP P48147 1/20 0.43
CRBN Q96SW2 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
BCHE P06276 1/20 0.38
HDAC1 Q13547 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
HTT P42858 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL105255 0.84 CES2 (0.64) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL15578239 0.82 CES2 (0.61) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL283962 0.81 CES2 (0.54) CES2CES1PREPCRBNLMNA
SCHEMBL164708 0.81 CES2 (0.54) CES2CES1PREPCRBNLMNA
SCHEMBL14454258 0.79 CES2 (0.52) CES2CES1PREPCRBNLMNA
Hydrochloric Acid SCHEMBL7276404 0.79 CES2 (0.52) CES2CES1PREPCRBNLMNA
Methylene Chloride SCHEMBL28186741 0.78 CES2 (0.56) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL23927132 0.77 GAA (0.49) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL30202190 0.77 GAA (0.49) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL23881508 0.77 GAA (0.49) CES2CES1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 CES2 3628/4885CES1 1767/4885ALDH1A1 4857/4885

“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.