SCHEMBL17059405

SCHEMBL17059405

CC(=O)c1ccc(F)cc1CN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAOA P21397 3/20 0.42
HSD17B1 P14061 1/20 0.41
KEAP1 Q14145 1/20 0.39
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 2/20 0.39
MPO P05164 1/20 0.39
DPP9 Q86TI2 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11933652 0.85 KEAP1 (0.43) MAOBCES2CES1MAOAKEAP1
Hydrochloric Acid SCHEMBL1444088 0.83 CES2 (0.44) CES2CES1KEAP1MPO
SCHEMBL27701683 0.83 MAPK8 (0.44) CES2CES1KEAP1MPOKMT2A
SCHEMBL28776645 0.82 HSP90AB1 (0.43) CES2CES1KEAP1MPOALDH1A1
SCHEMBL17058842 0.82 CES2 (0.40) MAOBCES2CES1KEAP1DPP4
SCHEMBL26418173 0.79 SLC6A4 (0.46) MAOBCES2CES1MAOAHSD17B1
SCHEMBL11570 0.78 CES2 (0.68) MAOBCES2CES1MAOAKMT2A
SCHEMBL29372550 0.78 CES2 (0.68) MAOBCES2CES1MAOAKMT2A
SCHEMBL31293520 0.77 NPC1 (0.40) MAOBCES2CES1MAOAHSD17B1
SCHEMBL26418103 0.76 HSD17B1 (0.40) HSD17B1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US 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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD MAOB 60/4885CES2 92/4885CES1 520/4885

“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.