SCHEMBL16419128

SCHEMBL16419128

CC(=O)Cc1ccc2oc(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.66
▸ CD74 P04233 3/20 0.66
▸ TP53 P04637 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ IDO1 P14902 1/20 0.56
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54

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
SCHEMBL16421404 0.90 MIF (0.65) MIFCD74TP53MAPTIDO1
SCHEMBL16419127 0.85 KMO (0.53) MIFCD74TP53MAPTIDO1
SCHEMBL16419129 0.83 MIF (0.57) MIFCD74TP53MAPTIDO1
SCHEMBL10874258 0.80 MIF (1.00) MIFCD74TP53POLBALDH1A1
SCHEMBL16554239 0.80 MIF (0.70) MIFCD74TP53MAPTIDO1
SCHEMBL17807837 0.77 NPC1 (0.79) MIFCD74TP53MAPTIDO1
SCHEMBL18171842 0.77 MIF (0.70) MIFCD74TP53MAPTIDO1
SCHEMBL18805702 0.77 MIF (1.00) MIFCD74TP53MAPTIDO1
SCHEMBL16421402 0.77 KMO (0.60) MIFCD74TP53MAPTIDO1
SCHEMBL16565537 0.76 MIF (0.76) MIFCD74POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 — — US disclosed
US-9487510-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-11-08 — — US disclosed
US-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reeddy's Laboratories Ltd. (IN) 2015-01-29 — — 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 (2 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-20150031685-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 MIF 3417/4885CD74 4409/4885TP53 4796/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 MIF 3441/4885CD74 4421/4885TP53 4792/4885

“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.

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