SCHEMBL2213849

SCHEMBL2213849

O=C(c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1)N(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.42
LPAR5 Q9H1C0 9/20 0.42
STAT3 P40763 1/20 0.39
TSHR P16473 2/20 0.39
NOTUM Q6P988 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2396029 0.94 LPAR1 (0.48) LPAR1LPAR5STAT3NOTUM
SCHEMBL2397723 0.93 ALKBH5 (0.42) LPAR1LPAR5
SCHEMBL2399028 0.91 LPAR1 (0.37) LPAR1LPAR5STAT3NOTUMTDP1
SCHEMBL2397112 0.90 NOTUM (0.38) LPAR1LPAR5STAT3NOTUMKLKB1
SCHEMBL2215538 0.89 LPAR1 (0.40) LPAR1LPAR5STAT3NOTUM
SCHEMBL2399003 0.88 CYP2C19 (0.48) TSHRNOTUMCYP2C19
SCHEMBL2401838 0.88 NOTUM (0.41) LPAR1LPAR5STAT3NOTUMKLKB1
SCHEMBL2396008 0.87 LPAR1 (0.38) LPAR1LPAR5NOTUMKLKB1KLK1
SCHEMBL2216720 0.87 LPAR1 (0.38) LPAR1LPAR5NOTUMKLKB1KLK1
SCHEMBL2396048 0.87 PSMB5 (0.44) LPAR1LPAR5STAT3NOTUMKLKB1

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
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
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 EP 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
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 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 (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 LPAR1 1823/4885LPAR5 1891/4885STAT3 798/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 LPAR1 3804/4885LPAR5 3666/4885STAT3 396/4885

“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.