SCHEMBL2396048

SCHEMBL2396048

CC(C)N(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.44
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
NOTUM Q6P988 1/20 0.38
DAGLA Q9Y4D2 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
STAT3 P40763 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL2401838 0.88 NOTUM (0.41) PSMB5MAPTTP53NOTUMDAGLA
SCHEMBL2396029 0.87 LPAR1 (0.48) MAPTNOTUMLPAR1LPAR5STAT3
SCHEMBL2397112 0.87 NOTUM (0.38) MAPTTP53NOTUMDAGLASMN1; SMN2
SCHEMBL2213849 0.87 LPAR1 (0.42) NOTUMLPAR1LPAR5KLKB1KLK1
SCHEMBL2214594 0.87 NOTUM (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2262332 0.86 MAPT (0.40) PSMB5MAPTTP53NOTUMDAGLA
SCHEMBL2190891 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2191018 0.84 NOTUM (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2398109 0.82 TRPM8 (0.42) NOTUM
SCHEMBL2215538 0.82 LPAR1 (0.40) MAPTNOTUMSMN1; SMN2LPAR1LPAR5

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 PSMB5 2053/4885PSEN1 3768/4885PSEN2 4111/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 PSMB5 2743/4885PSEN1 3892/4885PSEN2 4277/4885

“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.