Sugi Predict

Sugi Predict / Compounds / SCHEMBL2397112

SCHEMBL2397112

SCHEMBL2397112

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ KLKB1 P03952 2/20 0.38
▸ KLK1 P06870 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ DAGLA Q9Y4D2 2/20 0.37
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LPAR1 Q92633 2/20 0.36
▸ LPAR5 Q9H1C0 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ STK39 Q9UEW8 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
SCHEMBL2395679 0.92 DAGLA (0.41) NOTUMKLKB1KLK1DAGLAMAPT
SCHEMBL2213849 0.90 LPAR1 (0.42) NOTUMKLKB1KLK1STAT3LPAR1
SCHEMBL2396029 0.89 LPAR1 (0.48) NOTUMSTAT3MAPTLPAR1LPAR5
SCHEMBL2401838 0.88 NOTUM (0.41) NOTUMKLKB1KLK1STAT3DAGLA
SCHEMBL2396048 0.87 PSMB5 (0.44) NOTUMKLKB1KLK1STAT3DAGLA
SCHEMBL2262332 0.86 MAPT (0.40) NOTUMKLKB1KLK1STAT3DAGLA
SCHEMBL2213665 0.86 ALOX5 (0.39) NOTUMMAPTSMN1; SMN2LPAR1LPAR5
SCHEMBL2399028 0.85 LPAR1 (0.37) NOTUMKLKB1KLK1STAT3DAGLA
SCHEMBL12263190 0.85 MAPT (0.40) NOTUMKLKB1KLK1STAT3MAPT
SCHEMBL2215538 0.84 LPAR1 (0.40) NOTUMSTAT3MAPTSMN1; SMN2LPAR1

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 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 NOTUM 3691/4885KLKB1 2055/4885KLK1 1664/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885KLKB1 1321/4885KLK1 1339/4885

“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.