SCHEMBL2215548

SCHEMBL2215548

COCCOCCOCCOCCON(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.34
▸ HSD17B13 Q7Z5P4 2/20 0.34
▸ STK39 Q9UEW8 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ STAT3 P40763 1/20 0.33

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
SCHEMBL2397833 1.00 MAPT (0.37) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2216139 1.00 MAPT (0.37) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2396008 0.89 LPAR1 (0.38) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2216720 0.89 LPAR1 (0.38) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2262332 0.88 MAPT (0.40) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2401838 0.88 NOTUM (0.41) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2396048 0.82 PSMB5 (0.44) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2396029 0.82 LPAR1 (0.48) MAPTNOTUMLPAR1LPAR5STAT3
SCHEMBL2397112 0.82 NOTUM (0.38) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2213849 0.82 LPAR1 (0.42) NOTUMKLKB1KLK1LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US claimed
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 — — EP claimed
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 — — WO claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MAPT 4877/4885SMN1; SMN2 4546/4885NOTUM 3691/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MAPT 4644/4885SMN1; SMN2 4721/4885NOTUM 3951/4885

“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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