Sugi Predict

Sugi Predict / Compounds / SCHEMBL2397861

SCHEMBL2397861

SCHEMBL2397861

O=C(NCc1ccc(Oc2ccc(CO)cc2)cc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.49
▸ KLK1 P06870 1/20 0.49
▸ NOTUM Q6P988 1/20 0.41
▸ LIPG Q9Y5X9 2/20 0.40
▸ MAPK14 Q16539 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HSD17B13 Q7Z5P4 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ RPA1 P27694 2/20 0.36

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
SCHEMBL2213974 0.92 KLKB1 (0.59) KLKB1KLK1LIPGMAPK14CYP3A4
SCHEMBL2397916 0.89 HSD17B13 (0.47) KLKB1KLK1NOTUMMAPK14CYP3A4
SCHEMBL2398104 0.89 KLKB1 (0.46) KLKB1KLK1NOTUMLIPGMAPK14
SCHEMBL2220555 0.89 KLKB1 (0.46) KLKB1KLK1NOTUMLIPGMAPK14
SCHEMBL2398518 0.89 KLKB1 (0.46) KLKB1KLK1NOTUMLIPGMAPK14
SCHEMBL2398093 0.87 KLKB1 (0.45) KLKB1KLK1NOTUMLIPGMAPK14
SCHEMBL2214252 0.86 LMNA (0.45) NOTUMMMP13SMN1; SMN2POLBHPGD
SCHEMBL2398166 0.86 KLKB1 (0.44) KLKB1KLK1NOTUMLIPGMAPK14
SCHEMBL2400868 0.85 NR1H4 (0.44) KLKB1KLK1NOTUMMAPTSMN1; SMN2
SCHEMBL2214888 0.85 KLKB1 (0.43) KLKB1KLK1NOTUMLIPGMAPK14

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

“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.