Sugi Predict

Sugi Predict / Compounds / SCHEMBL2399028

SCHEMBL2399028

SCHEMBL2399028

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 7/20 0.37
▸ LPAR5 Q9H1C0 7/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ STK39 Q9UEW8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 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
SCHEMBL2213849 0.91 LPAR1 (0.42) LPAR1LPAR5STAT3TDP1KLKB1
SCHEMBL2396029 0.89 LPAR1 (0.48) LPAR1LPAR5STAT3NOTUMMAPT
SCHEMBL2397112 0.85 NOTUM (0.38) LPAR1LPAR5STAT3KLKB1KLK1
SCHEMBL2399545 0.85 NOTUM (0.43) KMT2ANOTUM
SCHEMBL2397119 0.85 NOTUM (0.36) KMT2ANOTUMMAPTPOLB
SCHEMBL2215538 0.84 LPAR1 (0.40) LPAR1LPAR5STAT3MEN1KMT2A
SCHEMBL2397723 0.84 ALKBH5 (0.42) LPAR1LPAR5MEN1KMT2AALDH1A1
SCHEMBL2400858 0.84 NOTUM (0.36) MEN1KMT2ANOTUMMAPT
SCHEMBL2399616 0.83 SLC6A9 (0.42) ATM
SCHEMBL2401838 0.83 NOTUM (0.41) LPAR1LPAR5STAT3KLKB1KLK1

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 6 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-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 1891/4885STAT3 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.