SCHEMBL17531772

SCHEMBL17531772

O=C(CSc1nc2ccncc2[nH]1)Nc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ LMNA P02545 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ NPC1 O15118 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ PRMT5 O14744 1/20 0.59
▸ WDR77 Q9BQA1 1/20 0.59
▸ MPO P05164 1/20 0.57
▸ MAPT P10636 4/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CCNK O75909 1/20 0.56

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
SCHEMBL12487210 0.85 MPO (0.78) SMN1; SMN2LMNAMAPK1PKMRAB9A
SCHEMBL17538636 0.85 MAPT (0.75) ENPP1LMNARAB9APOLBPRMT5
SCHEMBL16208438 0.81 MAPT (0.64) ENPP1LMNARAB9APOLBPRMT5
SCHEMBL16208365 0.81 MAPT (0.56) ENPP1SMN1; SMN2TDP1LMNANPC1
SCHEMBL6212573 0.80 MPO (0.73) ENPP1SMN1; SMN2LMNAPKMPOLB
SCHEMBL17538661 0.80 ENPP1 (0.70) ENPP1LMNAPKMPOLBMPO
SCHEMBL16208395 0.79 THRB (0.79) ENPP1LMNARAB9APOLBPRMT5
SCHEMBL6213918 0.79 MPO (0.63) ENPP1SMN1; SMN2TDP1LMNAMAPK1
SCHEMBL16198289 0.79 MAPT (0.57) ENPP1LMNAPOLBPRMT5WDR77
SCHEMBL16208348 0.79 MAPT (0.59) ENPP1SMN1; SMN2LMNARAB9APOLB

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 4 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-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
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 — — 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-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A ENPP1 964/4885SMN1; SMN2 4132/4885TDP1 4318/4885

“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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