SCHEMBL2399668

SCHEMBL2399668

CC(C)(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 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
ENPP2 Q13822 6/20 0.36
CENPE Q02224 8/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.34
SLC6A9 P48067 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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) NOTUMENPP2CENPECYP2C19SLC6A9
SCHEMBL2215538 0.86 LPAR1 (0.40) NOTUMSMN1; SMN2
SCHEMBL2398017 0.86 HSD17B13 (0.38) NOTUMHSD17B13KCNH2
SCHEMBL2399145 0.85 HSD17B13 (0.38) NOTUMHSD17B13MAPK1
SCHEMBL2399003 0.84 CYP2C19 (0.48) NOTUMENPP2CYP2C19HSD17B13SMN1; SMN2
SCHEMBL2400853 0.84 SLC6A9 (0.44) NOTUMHSD17B13SLC6A9KCNH2
SCHEMBL2400290 0.84 NOTUM (0.45) NOTUMENPP2CENPECYP2C19SMN1; SMN2
SCHEMBL2398360 0.84 NOTUM (0.45) NOTUMENPP2CENPECYP2C19SMN1; SMN2
SCHEMBL2399545 0.83 NOTUM (0.43) NOTUMENPP2CYP2C19SLC6A9KCNH2
SCHEMBL2220054 0.81 NOTUM (0.52) NOTUMENPP2SMN1; SMN2

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 3691/4885ENPP2 778/4885CENPE 3997/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885ENPP2 3622/4885CENPE 4628/4885

“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.