SCHEMBL2396012

SCHEMBL2396012

CN(C)c1cccc(CNC(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ POLB P06746 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B13 Q7Z5P4 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL2400518 0.88 KLKB1 (0.49) SMN1; SMN2KDM4ELMNAMAPTPOLB
SCHEMBL12262931 0.87 POLB (0.49) SMN1; SMN2KDM4EMAPTPOLBTP53
SCHEMBL2399044 0.87 NPC1 (0.46) MAPTPOLBTP53NOTUMIDO1
SCHEMBL12262921 0.84 POLB (0.50) SMN1; SMN2KDM4ELMNAMAPTPOLB
SCHEMBL2397327 0.84 LIPG (0.47) SMN1; SMN2MAPTPOLBTP53CHRM3
SCHEMBL2398104 0.84 KLKB1 (0.46) SMN1; SMN2KDM4ELMNAMAPTPOLB
SCHEMBL2216562 0.82 MEN1 (0.52) LMNAHSD17B13
SCHEMBL2397972 0.82 NOTUM (0.51) LMNANOTUMCNR1CNR2
SCHEMBL2214252 0.81 LMNA (0.45) SMN1; SMN2KDM4ELMNAPOLBNOTUM
SCHEMBL8020789 0.81 PI4KB (0.54) KDM4ELMNAMAPTPOLBTP53

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 10 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
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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 (3 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 SMN1; SMN2 4546/4885KDM4E 4565/4885LMNA 3364/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 SMN1; SMN2 4721/4885KDM4E 4514/4885LMNA 4295/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 SMN1; SMN2 4546/4885KDM4E 4565/4885LMNA 3364/4885

“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.

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