SCHEMBL2216640

SCHEMBL2216640

O=C(NCc1ccc(F)c(Cl)c1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGER4 P35408 1/20 0.42
NOTUM Q6P988 1/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.39
MMP13 P45452 3/20 0.39
MAPK1 P28482 6/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2400279 0.94 PPARG (0.43) NOTUMMMP13POLBTP53MAPT
SCHEMBL2397972 0.90 NOTUM (0.51) HDAC1NOTUMCNR2CNR1
SCHEMBL2213496 0.89 P2RX7 (0.42) MMP13
SCHEMBL2214252 0.89 LMNA (0.45) NOTUMCNR2CNR1MMP13POLB
SCHEMBL2215833 0.87 NOTUM (0.40) PTGER4NOTUMPOLBTP53MAPT
SCHEMBL2399044 0.86 NPC1 (0.46) NOTUMMMP13IDO1POLBTP53
SCHEMBL2397367 0.85 NOTUM (0.42) HDAC1NOTUMCNR2CNR1IDO1
SCHEMBL2212108 0.85 CNR1 (0.43) NOTUMCNR1POLBTP53MAPT
SCHEMBL2220555 0.83 KLKB1 (0.46) PTGER4NOTUMMMP13POLBTP53
SCHEMBL2214186 0.83 SMN1; SMN2 (0.46) HDAC1PTGER4NOTUMCNR2CNR1

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 12 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
EP-2341776-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-07-13 EP claimed
WO-2010033626-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-03-25 WO 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 HDAC3 1811/4885HDAC1 2458/4885HDAC2 3045/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 HDAC3 651/4885HDAC1 1369/4885HDAC2 2046/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HDAC3 1811/4885HDAC1 2458/4885HDAC2 3045/4885

“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.