SCHEMBL4423291

SCHEMBL4423291

O=C(Nc1cnn(Cc2ccccc2OCc2ccccc2)c1)c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 10/20 0.51
SCD O00767 8/20 0.51
PTGER1 P34995 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL4418956 0.89 PTGER1 (0.59) SCD5SCDPTGER1ALDH1A1
SCHEMBL2734042 0.89 PTGER1 (0.64) SCD5SCDPTGER1ALDH1A1
SCHEMBL2731497 0.89 PTGER1 (0.55) SCD5SCDPTGER1ALDH1A1SMN1; SMN2
SCHEMBL2733173 0.86 SCD5 (0.49) SCD5SCDALDH1A1SMN1; SMN2KMT2A
SCHEMBL4434304 0.86 SCD5 (0.52) SCD5SCDALDH1A1SMN1; SMN2KMT2A
SCHEMBL15190572 0.86 SCD5 (0.61) SCD5SCDALDH1A1SMN1; SMN2MAPT
SCHEMBL2732886 0.85 PTGER1 (0.59) SCD5SCDPTGER1ALDH1A1SMN1; SMN2
SCHEMBL4420874 0.85 SCD5 (0.55) SCD5SCDALDH1A1SMN1; SMN2MAPT
SCHEMBL4434159 0.84 SCD5 (0.50) SCD5SCDALDH1A1SMN1; SMN2KMT2A
SCHEMBL4429422 0.84 ALDH1A1 (0.54) SCD5SCDALDH1A1SMN1; SMN2KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US claimed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US claimed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
WO-2012052459-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2012-04-26 WO 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 (1 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-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 SCD5 2471/4885SCD 2487/4885PTGER1 206/4885

“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.