SCHEMBL2397838

SCHEMBL2397838

O=C(NCc1ccccc1OC(F)F)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 10/20 0.47
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
NOTUM Q6P988 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
SCHEMBL2399017 0.85 MAPT (0.46) MAPTSMN1; SMN2POLBTP53NOTUM
SCHEMBL2401840 0.82 HSD17B13 (0.54) HSD17B13
SCHEMBL2212108 0.78 CNR1 (0.43) HSD17B13MAPTPOLBTP53NOTUM
SCHEMBL2400241 0.76 MAPT (0.52) MAPTSMN1; SMN2POLBTP53
SCHEMBL2213974 0.76 KLKB1 (0.59) MAPTSMN1; SMN2LIPGPOLBTP53
SCHEMBL2214252 0.75 LMNA (0.45) SMN1; SMN2POLBNOTUM
SCHEMBL2400868 0.75 NR1H4 (0.44) MAPTSMN1; SMN2TP53NOTUM
SCHEMBL2399044 0.75 NPC1 (0.46) MAPTPOLBTP53NOTUM
SCHEMBL2212039 0.75 ABCB1 (0.51) HSD17B13MAPK1
SCHEMBL2397327 0.75 LIPG (0.47) HSD17B13MAPTSMN1; SMN2LIPGPOLB

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 HSD17B13 924/4885MAPT 4877/4885SMN1; SMN2 4546/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 HSD17B13 2192/4885MAPT 4644/4885SMN1; SMN2 4721/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HSD17B13 924/4885MAPT 4877/4885SMN1; SMN2 4546/4885

“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.