SCHEMBL4090101

SCHEMBL4090101

CCOC(=O)c1cc2cc(Oc3cccc(C(F)(F)F)c3)ncc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 1/20 0.47
HTT P42858 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDR P35968 1/20 0.46
MAPK1 P28482 2/20 0.45
MMP2 P08253 4/20 0.45

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
SCHEMBL8869770 0.85 KDM4E (0.62) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL4409034 0.82 KDM4E (0.52) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL8869370 0.78 KDM4E (0.48) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL6877287 0.76 KDM4E (0.54) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL29721893 0.76 KDM4E (0.54) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL926927 0.76 KDM4E (0.68) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL1769913 0.76 RAB9A (0.60) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30719997 0.76 KDM4E (0.68) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL29878255 0.76 RAB9A (0.60) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5264228 0.75 KDM4E (0.46) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 US disclosed
EP-1841766-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077401-A1 PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 KDM4E 1407/4885ALDH1A1 2562/4885RAB9A 2900/4885

“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.