SCHEMBL2190259

SCHEMBL2190259

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ACLY P53396 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
ESRRB O95718 1/20 0.33
ESRRG P62508 1/20 0.33
CYP19A1 P11511 1/20 0.33
CCR9 P51686 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
POLB P06746 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL2186910 0.87 NOTUM (0.43) NOTUMACLYMAPTSMN1; SMN2POLB
SCHEMBL2220054 0.87 NOTUM (0.52) NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2399443 0.87 NOTUM (0.39) NOTUMCRHBPCRHR2SMN1; SMN2NR1H4
SCHEMBL2191018 0.86 NOTUM (0.38) NOTUMMAPTTRPM8NR1H4ESRRB
SCHEMBL2400496 0.86 HSP90AA1 (0.39) NOTUMNR1H4ESRRBESRRGCYP19A1
SCHEMBL2401838 0.85 NOTUM (0.41) NOTUMMAPTSMN1; SMN2POLB
SCHEMBL2214597 0.85 NR1H4 (0.39) NOTUMMAPTSMN1; SMN2NR1H4MEN1
SCHEMBL2397806 0.83 NOTUM (0.38) NOTUMMAPTSMN1; SMN2NR1H4ESRRB
SCHEMBL2396892 0.83 NOTUM (0.38) NOTUMMAPTSMN1; SMN2NR1H4ESRRB
SCHEMBL2401867 0.83 NOTUM (0.38) NOTUMMAPTSMN1; SMN2NR1H4ESRRB

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 11 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
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 EP claimed
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 WO 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
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 EP 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
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 WO 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 3691/4885ACLY 557/4885CRHBP 4098/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885ACLY 1001/4885CRHBP 4063/4885

“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.