SCHEMBL3142243

SCHEMBL3142243

Cc1cc(C)cc(-c2ccc(Br)cc2-c2nc3cc(C)ccc3o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
RAB9A P51151 11/20 0.55
SMN1; SMN2 Q16637 10/20 0.55
ALDH1A1 P00352 10/20 0.55
HPGD P15428 9/20 0.55
NPC1 O15118 9/20 0.55
HSD17B10 Q99714 8/20 0.55
TP53 P04637 6/20 0.55
MAPT P10636 9/20 0.53
CASP3 P42574 4/20 0.52
SENP7 Q9BQF6 4/20 0.52
SENP6 Q9GZR1 4/20 0.52
SENP8 Q96LD8 3/20 0.52
POLB P06746 1/20 0.52
XBP1 P17861 1/20 0.51
HIF1A Q16665 1/20 0.51
NFKB1 P19838 5/20 0.50
NFKB2 Q00653 5/20 0.50
RELA Q04206 5/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4500826 0.81 KDM4E (0.54) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3136773 0.81 KDM4E (0.54) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL22103734 0.79 NPC1 (0.81) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4502713 0.76 ALOX5 (0.49) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3133811 0.76 RAB9A (0.56) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2245900 0.76 NPC1 (0.76) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14668247 0.75 KDM4E (0.80) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3137765 0.75 RAB9A (0.70) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13620844 0.74 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL30498604 0.74 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD

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 3680/4885SMN1; SMN2 2389/4885

“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.