SCHEMBL4430476

SCHEMBL4430476

O=[N+]([O-])c1cnn(Cc2c(F)cccc2C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KMT2A Q03164 4/20 0.44
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
KLKB1 P03952 2/20 0.41
HIF1A Q16665 2/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
AR P10275 1/20 0.40
RAB9A P51151 1/20 0.40
GNRHR P30968 1/20 0.38

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
SCHEMBL17166119 0.81 POLB (0.45) POLBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL21523820 0.81 ALDH1A1 (0.49) KMT2ASMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL4423914 0.78 MAPT (0.57) KMT2ASTIM1ORAI1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL2722945 0.77 MAPT (0.56) KMT2ASTIM1ORAI1ALDH1A1MEN1
SCHEMBL21523602 0.77 ALDH1A1 (0.58) KMT2ASMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL21523675 0.76 SCD5 (0.45) POLBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL22619846 0.75 ALDH1A1 (0.62) POLBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL21523690 0.74 KMT2A (0.54) POLBKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL21523657 0.74 SCD5 (0.47) KMT2ASMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL22619675 0.73 HIF1A (0.46) KMT2ASMN1; SMN2ALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US disclosed
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 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-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
EP-2630126-B1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LTD (GB) 2015-01-07 EP disclosed
EP-2630126-B1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LTD (GB) 2015-01-07 EP 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
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 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 (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-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions NLRP3, IL33, IL5 POLB 4371/4885KMT2A 2244/4885STIM1 1530/4885
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 POLB 4322/4885KMT2A 2158/4885STIM1 1629/4885

“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.