SCHEMBL3131850

SCHEMBL3131850

Cc1ccc2oc(-c3cc(I)ccc3OCC=Cc3ccccc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
RAB9A P51151 9/20 0.46
HPGD P15428 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
NPC1 O15118 7/20 0.46
CASP3 P42574 4/20 0.46
SENP7 Q9BQF6 4/20 0.46
SENP6 Q9GZR1 4/20 0.46
SENP8 Q96LD8 3/20 0.46
POLB P06746 1/20 0.46
AGPAT2 O15120 5/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPT P10636 7/20 0.41
HSD17B10 Q99714 7/20 0.41
TP53 P04637 6/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.39
NFKB1 P19838 3/20 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
SCHEMBL3131839 1.00 KDM4E (0.46) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3137253 0.88 RAB9A (0.46) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3137262 0.88 RAB9A (0.46) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3137503 0.88 NPC1 (0.38) KDM4ERAB9ASMN1; SMN2NPC1AGPAT2
SCHEMBL3137492 0.88 NPC1 (0.38) KDM4ERAB9ASMN1; SMN2NPC1AGPAT2
SCHEMBL3138005 0.83 HPGD (0.50) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3130864 0.78 PTGES (0.48) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3130870 0.78 PTGES (0.48) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL4519927 0.77 AGPAT2 (0.63) KDM4ERAB9AHPGDSMN1; SMN2NPC1
SCHEMBL3131870 0.76 PTGES (0.69) KDM4ERAB9AHPGDNPC1AGPAT2

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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
EP-2102177-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071944-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 KDM4E 1264/4885RAB9A 3680/4885HPGD 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.