SCHEMBL16208352

SCHEMBL16208352

N#Cc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.67
▸ MPO P05164 1/20 0.54
▸ ENPP1 P22413 5/20 0.54
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FPR1 P21462 1/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 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
SCHEMBL16208355 0.87 THRB (0.75) THRBMPOENPP1MAPTPOLB
SCHEMBL6212573 0.86 MPO (0.73) THRBMPOENPP1MAPTPOLB
SCHEMBL12486824 0.86 THRB (0.74) THRBMPOMAPTPOLBALDH1A1
SCHEMBL6213918 0.85 MPO (0.63) MPOENPP1MAPTPOLBALDH1A1
SCHEMBL16208377 0.84 THRB (0.90) THRBMPOMAPTPOLBALDH1A1
SCHEMBL16208387 0.83 THRB (0.70) THRBMPOENPP1MAPTPOLB
SCHEMBL16208385 0.83 THRB (0.70) THRBMPOENPP1MAPTPOLB
SCHEMBL16208379 0.82 THRB (0.68) THRBMPOENPP1MAPTPOLB
SCHEMBL16208349 0.82 THRB (0.85) THRBMPOENPP1MAPTPOLB
SCHEMBL17538671 0.82 THRB (0.68) THRBMPOENPP1MAPTPOLB

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 4787/4885MPO 981/4885ENPP1 964/4885

“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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