SCHEMBL16208409

SCHEMBL16208409

O=C(CSc1nc2cccnc2[nH]1)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ MPO P05164 2/20 0.59
▸ POLB P06746 5/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ LMNA P02545 5/20 0.56
▸ PRMT5 O14744 1/20 0.56
▸ WDR77 Q9BQA1 1/20 0.56
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL16208440 0.89 MPO (0.71) TSHRMPOPOLBTDP1LMNA
SCHEMBL16208365 0.89 MAPT (0.56) MPOPOLBTDP1LMNAMAPT
SCHEMBL16208435 0.86 MPO (0.73) MPOPOLBTDP1LMNAMAPT
SCHEMBL12485740 0.83 MPO (0.81) TSHRMPOPOLBLMNAPRMT5
SCHEMBL17624905 0.83 MAPT (0.74) MPOPOLBLMNAMAPTALDH1A1
SCHEMBL20305142 0.81 ENPP1 (0.74) TDP1LMNAALDH1A1SMN1; SMN2USP2
SCHEMBL13381580 0.81 PKM (0.71) POLBLMNAMAPTPKMMEN1
SCHEMBL6213918 0.81 MPO (0.63) MPOPOLBTDP1LMNAPRMT5
SCHEMBL17712438 0.78 MAPT (0.64) MPOPOLBTDP1LMNAPRMT5
SCHEMBL11879006 0.75 TSHR (1.00) TSHRPOLBLMNAMAPTALDH1A1

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 TSHR 4046/4885MPO 981/4885POLB 1381/4885

“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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