SCHEMBL2396029

SCHEMBL2396029

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.48
LPAR5 Q9H1C0 5/20 0.48
MAPT P10636 1/20 0.40
NOTUM Q6P988 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
STAT3 P40763 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL2213849 0.94 LPAR1 (0.42) LPAR1LPAR5NOTUMSTAT3
SCHEMBL2215538 0.89 LPAR1 (0.40) LPAR1LPAR5MAPTNOTUMSTAT3
SCHEMBL2399028 0.89 LPAR1 (0.37) LPAR1LPAR5MAPTNOTUMSTAT3
SCHEMBL2397112 0.89 NOTUM (0.38) LPAR1LPAR5MAPTNOTUMSTAT3
SCHEMBL2262332 0.88 MAPT (0.40) LPAR1LPAR5MAPTNOTUMSTAT3
SCHEMBL2401838 0.88 NOTUM (0.41) LPAR1LPAR5MAPTNOTUMSTAT3
SCHEMBL2397723 0.88 ALKBH5 (0.42) LPAR1LPAR5MAPTTRPM8
SCHEMBL2396008 0.87 LPAR1 (0.38) LPAR1LPAR5MAPTNOTUM
SCHEMBL2216720 0.87 LPAR1 (0.38) LPAR1LPAR5MAPTNOTUM
SCHEMBL2396048 0.87 PSMB5 (0.44) LPAR1LPAR5MAPTNOTUMSTAT3

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 7 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
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 LPAR1 1823/4885LPAR5 1891/4885MAPT 4877/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 LPAR1 3804/4885LPAR5 3666/4885MAPT 4644/4885

“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.