SCHEMBL2399545

SCHEMBL2399545

C=CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
CYP2C19 P33261 1/20 0.35
ENPP2 Q13822 12/20 0.35
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL2215745 0.88 NOTUM (0.48) NOTUMCYP2C19ENPP2SLC6A9KCNH2
SCHEMBL2397119 0.88 NOTUM (0.36) NOTUMKMT2A
SCHEMBL2400858 0.87 NOTUM (0.36) NOTUMKMT2A
SCHEMBL2399003 0.86 CYP2C19 (0.48) NOTUMCYP2C19ENPP2SIGMAR1
SCHEMBL2399028 0.85 LPAR1 (0.37) NOTUMKMT2A
SCHEMBL2401803 0.85 HSD17B13 (0.38) KCNH2
SCHEMBL2399668 0.83 NOTUM (0.43) NOTUMCYP2C19ENPP2SLC6A9KCNH2
SCHEMBL2399616 0.82 SLC6A9 (0.42) SLC6A9KCNH2
SCHEMBL2398024 0.82 NOTUM (0.41) NOTUMCYP2C19KMT2A
SCHEMBL2220054 0.80 NOTUM (0.52) NOTUMENPP2

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 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-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 3691/4885CYP2C19 1247/4885ENPP2 778/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885CYP2C19 909/4885ENPP2 3622/4885

“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.