SCHEMBL2396008

SCHEMBL2396008

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 8/20 0.38
▸ LPAR5 Q9H1C0 6/20 0.38
▸ MAPT P10636 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ KLK1 P06870 1/20 0.35

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
SCHEMBL2216720 1.00 LPAR1 (0.38) LPAR1LPAR5MAPTSMN1; SMN2NOTUM
SCHEMBL2215548 0.89 MAPT (0.37) LPAR1LPAR5MAPTSMN1; SMN2NOTUM
SCHEMBL2216139 0.89 MAPT (0.37) LPAR1LPAR5MAPTSMN1; SMN2NOTUM
SCHEMBL2397833 0.89 MAPT (0.37) LPAR1LPAR5MAPTSMN1; SMN2NOTUM
SCHEMBL2397806 0.88 NOTUM (0.38) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2401867 0.88 NOTUM (0.38) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2396892 0.88 NOTUM (0.38) MAPTSMN1; SMN2NOTUMPOLBTP53
SCHEMBL2400290 0.88 NOTUM (0.45) MAPTSMN1; SMN2NOTUMPOLB
SCHEMBL2398360 0.88 NOTUM (0.45) MAPTSMN1; SMN2NOTUMPOLB
SCHEMBL2396029 0.87 LPAR1 (0.48) LPAR1LPAR5MAPTNOTUM

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.

Send feedback