SCHEMBL16208417

SCHEMBL16208417

CN(C)C(=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)cc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.66
▸ MAPT P10636 8/20 0.53
▸ MPO P05164 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ ENPP1 P22413 4/20 0.51
▸ TP53 P04637 2/20 0.51
▸ FPR2 P25090 2/20 0.50
▸ FPR1 P21462 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17538651 0.88 THRB (0.67) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL16208355 0.88 THRB (0.75) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL16208350 0.88 MAPT (0.67) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL16208390 0.88 THRB (0.67) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL17538653 0.87 MAPT (0.56) MAPTMPOALDH1A1ENPP1TP53
SCHEMBL16208349 0.85 THRB (0.85) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL16208424 0.85 THRB (0.64) THRBMAPTMPOENPP1TP53
SCHEMBL16208385 0.84 THRB (0.70) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL16208387 0.84 THRB (0.70) THRBMAPTMPOALDH1A1ENPP1
SCHEMBL17538671 0.83 THRB (0.68) THRBMAPTMPOALDH1A1ENPP1

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-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 — — US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 — — US disclosed
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 — — 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-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A THRB 4787/4885MAPT 4629/4885MPO 981/4885

“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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