SCHEMBL4513197

SCHEMBL4513197

Cc1ccc2oc(-c3cc(Br)ccc3OC3CCCC3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
AGPAT2 O15120 3/20 0.45
HPGD P15428 8/20 0.44
KDM4E B2RXH2 8/20 0.44
RAB9A P51151 8/20 0.44
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 6/20 0.44
HSD17B10 Q99714 6/20 0.44
TP53 P04637 4/20 0.44
CASP3 P42574 4/20 0.42
SENP7 Q9BQF6 4/20 0.42
SENP6 Q9GZR1 4/20 0.42
SENP8 Q96LD8 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 6/20 0.42
XBP1 P17861 1/20 0.42
HIF1A Q16665 1/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42

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
SCHEMBL4512031 0.87 ALOX5 (0.46) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL4544546 0.80 KDM4E (0.44) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL4502713 0.79 ALOX5 (0.49) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL3136330 0.75 KDM4E (0.50) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL4500826 0.74 KDM4E (0.54) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL3136773 0.74 KDM4E (0.54) HPGDKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL3142243 0.72 KDM4E (0.55) ALOX5HPGDKDM4ERAB9AALDH1A1
SCHEMBL3137262 0.71 RAB9A (0.46) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL3137253 0.71 RAB9A (0.46) ALOX5AGPAT2HPGDKDM4ERAB9A
SCHEMBL22103734 0.70 NPC1 (0.81) ALOX5HPGDKDM4ERAB9AALDH1A1

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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US disclosed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 ALOX5 504/4885AGPAT2 4533/4885HPGD 411/4885

“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.