SCHEMBL2401845

SCHEMBL2401845

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
ESRRG P62508 2/20 0.34
ESRRB O95718 1/20 0.34
CYP19A1 P11511 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
CCR9 P51686 3/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HSP90AA1 P07900 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2400293 0.91 MAPT (0.38) NOTUMHSD17B13TP53MAPTHSP90AA1
SCHEMBL2400496 0.91 HSP90AA1 (0.39) NOTUMESRRGESRRBCYP19A1NR1H4
SCHEMBL2399668 0.90 NOTUM (0.43) NOTUMHSD17B13
SCHEMBL2214597 0.89 NR1H4 (0.39) NOTUMHSD17B13NR1H4TP53MAPT
SCHEMBL2397852 0.87 NOTUM (0.36) NOTUMESRRGESRRBCYP19A1NR1H4
SCHEMBL2396892 0.87 NOTUM (0.38) NOTUMESRRGESRRBCYP19A1NR1H4
SCHEMBL2215538 0.87 LPAR1 (0.40) NOTUMMAPT
SCHEMBL2401867 0.87 NOTUM (0.38) NOTUMESRRGESRRBCYP19A1NR1H4
SCHEMBL2397806 0.87 NOTUM (0.38) NOTUMESRRGESRRBCYP19A1NR1H4
SCHEMBL2400858 0.86 NOTUM (0.36) NOTUMESRRGESRRBCYP19A1NR1H4

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 NOTUM 3691/4885ESRRG 1525/4885ESRRB 1018/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885ESRRG 3265/4885ESRRB 2738/4885

“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.